(2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride

C83H125ClN10O17 — CID 159296154

IUPAC(2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESC.C.CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C(=O)O.CC(C)C(N)C(O)C(N)=O.CC(C)C(NC(=O)[C@@H]1C[C@H](c2ccccc2)CN1)C(O)C(N)=O.CC(C)C(NC(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)OC(C)(C)C)C(O)C(N)=O.Cl.O=C(N[C@H](CC1CCCCC1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H33N3O5.C20H23NO3.C17H25N3O3.C16H21NO4.C6H14N2O2.2CH4.ClH/c1-13(2)17(18(26)19(23)27)24-20(28)16-11-15(14-9-7-6-8-10-14)12-25(16)21(29)30-22(3,4)5;22-19(17-11-10-15-8-4-5-9-16(15)13-17)21-18(20(23)24)12-14-6-2-1-3-7-14;1-10(2)14(15(21)16(18)22)20-17(23)13-8-12(9-19-13)11-6-4-3-5-7-11;1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11;1-3(2)4(7)5(9)6(8)10;;;/h6-10,13,15-18,26H,11-12H2,1-5H3,(H2,23,27)(H,24,28);4-5,8-11,13-14,18H,1-3,6-7,12H2,(H,21,22)(H,23,24);3-7,10,12-15,19,21H,8-9H2,1-2H3,(H2,18,22)(H,20,23);4-8,12-13H,9-10H2,1-3H3,(H,18,19);3-5,9H,7H2,1-2H3,(H2,8,10);2*1H4;1H/t15-,16-,17?,18?;18-;12-,13-,14?,15?;12-,13-;;;;/m0100..../s1
InChIKeyVLGXNVNNVXJBMA-ZZXZNFJBSA-N
MW1570.42 g/mol
LogP9.25
Rot. Bonds22

About (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 159296154) has the molecular formula C83H125ClN10O17 and a molecular weight of 1570.42 g/mol. Its IUPAC name is (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID159296154
Molecular FormulaC83H125ClN10O17
Molecular Weight1570.42 g/mol
Exact Mass1568.89
IUPAC Name(2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESC.C.CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C(=O)O.CC(C)C(N)C(O)C(N)=O.CC(C)C(NC(=O)[C@@H]1C[C@H](c2ccccc2)CN1)C(O)C(N)=O.CC(C)C(NC(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)OC(C)(C)C)C(O)C(N)=O.Cl.O=C(N[C@H](CC1CCCCC1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H33N3O5.C20H23NO3.C17H25N3O3.C16H21NO4.C6H14N2O2.2CH4.ClH/c1-13(2)17(18(26)19(23)27)24-20(28)16-11-15(14-9-7-6-8-10-14)12-25(16)21(29)30-22(3,4)5;22-19(17-11-10-15-8-4-5-9-16(15)13-17)21-18(20(23)24)12-14-6-2-1-3-7-14;1-10(2)14(15(21)16(18)22)20-17(23)13-8-12(9-19-13)11-6-4-3-5-7-11;1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11;1-3(2)4(7)5(9)6(8)10;;;/h6-10,13,15-18,26H,11-12H2,1-5H3,(H2,23,27)(H,24,28);4-5,8-11,13-14,18H,1-3,6-7,12H2,(H,21,22)(H,23,24);3-7,10,12-15,19,21H,8-9H2,1-2H3,(H2,18,22)(H,20,23);4-8,12-13H,9-10H2,1-3H3,(H,18,19);3-5,9H,7H2,1-2H3,(H2,8,10);2*1H4;1H/t15-,16-,17?,18?;18-;12-,13-,14?,15?;12-,13-;;;;/m0100..../s1
InChIKeyVLGXNVNNVXJBMA-ZZXZNFJBSA-N
XLogP9.25
TPSA448.99 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001570.42
LogP ≤ 59.25
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Analyze (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride (CID 159296154) is (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride is C.C.CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C(=O)O.CC(C)C(N)C(O)C(N)=O.CC(C)C(NC(=O)[C@@H]1C[C@H](c2ccccc2)CN1)C(O)C(N)=O.CC(C)C(NC(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)OC(C)(C)C)C(O)C(N)=O.Cl.O=C(N[C@H](CC1CCCCC1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is VLGXNVNNVXJBMA-ZZXZNFJBSA-N. The full InChI is InChI=1S/C22H33N3O5.C20H23NO3.C17H25N3O3.C16H21NO4.C6H14N2O2.2CH4.ClH/c1-13(2)17(18(26)19(23)27)24-20(28)16-11-15(14-9-7-6-8-10-14)12-25(16)21(29)30-22(3,4)5;22-19(17-11-10-15-8-4-5-9-16(15)13-17)21-18(20(23)24)12-14-6-2-1-3-7-14;1-10(2)14(15(21)16(18)22)20-17(23)13-8-12(9-19-13)11-6-4-3-5-7-11;1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11;1-3(2)4(7)5(9)6(8)10;;;/h6-10,13,15-18,26H,11-12H2,1-5H3,(H2,23,27)(H,24,28);4-5,8-11,13-14,18H,1-3,6-7,12H2,(H,21,22)(H,23,24);3-7,10,12-15,19,21H,8-9H2,1-2H3,(H2,18,22)(H,20,23);4-8,12-13H,9-10H2,1-3H3,(H,18,19);3-5,9H,7H2,1-2H3,(H2,8,10);2*1H4;1H/t15-,16-,17?,18?;18-;12-,13-,14?,15?;12-,13-;;;;/m0100..../s1.
What are the key properties of (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 1570.42 g/mol, XLogP of 9.25, 22 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;tert-butyl (2S,4R)-2-[(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid;methane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 159296154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).