(2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid

C77H87Cl4F4N9O10 — CID 160728949

IUPAC(2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid
SMILESC[C@@H](CC1CC1)C(=O)CCc1cccc(Cl)c1F.C[C@@H](CC1CC1)C(=O)O.NC(=O)c1nn(CC(=O)N[C@@H](CC2CC2)C(=O)CCc2cccc(Cl)c2F)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCc1cccc(Cl)c1F.N[C@@H](CC1CC1)C(=O)CCc1cccc(Cl)c1F
InChIInChI=1S/C24H24ClFN4O3.C15H18ClFO.C14H17ClFNO.C10H9N3O3.C7H7ClFN.C7H12O2/c25-17-6-3-4-15(22(17)26)10-11-20(31)18(12-14-8-9-14)28-21(32)13-30-19-7-2-1-5-16(19)23(29-30)24(27)33;1-10(9-11-5-6-11)14(18)8-7-12-3-2-4-13(16)15(12)17;15-11-3-1-2-10(14(11)16)6-7-13(18)12(17)8-9-4-5-9;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;8-6-3-1-2-5(4-10)7(6)9;1-5(7(8)9)4-6-2-3-6/h1-7,14,18H,8-13H2,(H2,27,33)(H,28,32);2-4,10-11H,5-9H2,1H3;1-3,9,12H,4-8,17H2;1-4H,5H2,(H2,11,16)(H,14,15);1-3H,4,10H2;5-6H,2-4H2,1H3,(H,8,9)/t18-;10-;12-;;;5-/m000..0/s1
InChIKeyRUBPOVUKRMTIOR-SNMCFZJESA-N
MW1516.40 g/mol
LogP14.60
Rot. Bonds29

About (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid

(2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid (PubChem CID 160728949) has the molecular formula C77H87Cl4F4N9O10 and a molecular weight of 1516.40 g/mol. Its IUPAC name is (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid
PubChem CID160728949
Molecular FormulaC77H87Cl4F4N9O10
Molecular Weight1516.40 g/mol
Exact Mass1513.53
IUPAC Name(2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid
SMILESC[C@@H](CC1CC1)C(=O)CCc1cccc(Cl)c1F.C[C@@H](CC1CC1)C(=O)O.NC(=O)c1nn(CC(=O)N[C@@H](CC2CC2)C(=O)CCc2cccc(Cl)c2F)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCc1cccc(Cl)c1F.N[C@@H](CC1CC1)C(=O)CCc1cccc(Cl)c1F
InChIInChI=1S/C24H24ClFN4O3.C15H18ClFO.C14H17ClFNO.C10H9N3O3.C7H7ClFN.C7H12O2/c25-17-6-3-4-15(22(17)26)10-11-20(31)18(12-14-8-9-14)28-21(32)13-30-19-7-2-1-5-16(19)23(29-30)24(27)33;1-10(9-11-5-6-11)14(18)8-7-12-3-2-4-13(16)15(12)17;15-11-3-1-2-10(14(11)16)6-7-13(18)12(17)8-9-4-5-9;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;8-6-3-1-2-5(4-10)7(6)9;1-5(7(8)9)4-6-2-3-6/h1-7,14,18H,8-13H2,(H2,27,33)(H,28,32);2-4,10-11H,5-9H2,1H3;1-3,9,12H,4-8,17H2;1-4H,5H2,(H2,11,16)(H,14,15);1-3H,4,10H2;5-6H,2-4H2,1H3,(H,8,9)/t18-;10-;12-;;;5-/m000..0/s1
InChIKeyRUBPOVUKRMTIOR-SNMCFZJESA-N
XLogP14.60
TPSA328.77 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001516.40
LogP ≤ 514.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid?
The IUPAC name of (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid (CID 160728949) is (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid is C[C@@H](CC1CC1)C(=O)CCc1cccc(Cl)c1F.C[C@@H](CC1CC1)C(=O)O.NC(=O)c1nn(CC(=O)N[C@@H](CC2CC2)C(=O)CCc2cccc(Cl)c2F)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCc1cccc(Cl)c1F.N[C@@H](CC1CC1)C(=O)CCc1cccc(Cl)c1F.
What is the InChIKey of (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid?
The InChIKey is RUBPOVUKRMTIOR-SNMCFZJESA-N. The full InChI is InChI=1S/C24H24ClFN4O3.C15H18ClFO.C14H17ClFNO.C10H9N3O3.C7H7ClFN.C7H12O2/c25-17-6-3-4-15(22(17)26)10-11-20(31)18(12-14-8-9-14)28-21(32)13-30-19-7-2-1-5-16(19)23(29-30)24(27)33;1-10(9-11-5-6-11)14(18)8-7-12-3-2-4-13(16)15(12)17;15-11-3-1-2-10(14(11)16)6-7-13(18)12(17)8-9-4-5-9;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;8-6-3-1-2-5(4-10)7(6)9;1-5(7(8)9)4-6-2-3-6/h1-7,14,18H,8-13H2,(H2,27,33)(H,28,32);2-4,10-11H,5-9H2,1H3;1-3,9,12H,4-8,17H2;1-4H,5H2,(H2,11,16)(H,14,15);1-3H,4,10H2;5-6H,2-4H2,1H3,(H,8,9)/t18-;10-;12-;;;5-/m000..0/s1.
What are the key properties of (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid?
(2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid has a molecular weight of 1516.40 g/mol, XLogP of 14.60, 29 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(3-chloro-2-fluorophenyl)-1-cyclopropylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-methylpentan-3-one;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;(3-chloro-2-fluorophenyl)methanamine;(2S)-3-cyclopropyl-2-methylpropanoic acid is sourced from PubChem (CID 160728949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).