(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid

C20H30N2O5 — CID 71060534

IUPAC(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid
SMILESCC(C[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)O)c1ccccc1
InChIInChI=1S/C20H30N2O5/c1-13(14-10-8-7-9-11-14)12-15(16(23)24)21-17(25)20(5,6)22-18(26)27-19(2,3)4/h7-11,13,15H,12H2,1-6H3,(H,21,25)(H,22,26)(H,23,24)/t13?,15-/m1/s1
InChIKeyFNPLHKOMDVCTAK-AWKYBWMHSA-N
MW378.47 g/mol
LogP3.05
Rot. Bonds7

About (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid

(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid (PubChem CID 71060534) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid
PubChem CID71060534
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid
SMILESCC(C[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)O)c1ccccc1
InChIInChI=1S/C20H30N2O5/c1-13(14-10-8-7-9-11-14)12-15(16(23)24)21-17(25)20(5,6)22-18(26)27-19(2,3)4/h7-11,13,15H,12H2,1-6H3,(H,21,25)(H,22,26)(H,23,24)/t13?,15-/m1/s1
InChIKeyFNPLHKOMDVCTAK-AWKYBWMHSA-N
XLogP3.05
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid with MolForge

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Related Compounds

(2R)-3-benzylsulfanyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 141077071
2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 21222063
(2R,3S)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxybutanoic acid
CID 71060529
(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid
CID 87902559
(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(4-methylphenyl)methoxy]propanoic acid
CID 71076042
tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
CID 102537977
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
CID 14606139
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid
CID 143223924
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
CID 91562993

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid?
The IUPAC name of (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid (CID 71060534) is (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid is CC(C[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid?
The InChIKey is FNPLHKOMDVCTAK-AWKYBWMHSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-13(14-10-8-7-9-11-14)12-15(16(23)24)21-17(25)20(5,6)22-18(26)27-19(2,3)4/h7-11,13,15H,12H2,1-6H3,(H,21,25)(H,22,26)(H,23,24)/t13?,15-/m1/s1.
What are the key properties of (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid?
(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid has a molecular weight of 378.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-phenylpentanoic acid is sourced from PubChem (CID 71060534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).