(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid

C20H24N2O3 — CID 122099893

IUPAC(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NCC(=O)Nc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C20H24N2O3/c1-3-14(2)19(20(24)25)21-13-18(23)22-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,19,21H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,19-/m0/s1
InChIKeyFSKZGPKGWHQWSL-LIRRHRJNSA-N
MW340.42 g/mol
LogP3.38
Rot. Bonds8

About (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid

(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid (PubChem CID 122099893) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid
PubChem CID122099893
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NCC(=O)Nc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C20H24N2O3/c1-3-14(2)19(20(24)25)21-13-18(23)22-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,19,21H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,19-/m0/s1
InChIKeyFSKZGPKGWHQWSL-LIRRHRJNSA-N
XLogP3.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S,3S)-2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099851
2-[[(2R)-pentan-2-yl]amino]-N-(2-phenylphenyl)acetamide
CID 2112768
(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide
CID 97307942
2-(benzhydrylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 68964079
(2S,3S)-2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099823
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-(2-phenylphenyl)acetamide
CID 9397796
(2S,3S)-3-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]pentanoic acid
CID 122099830
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide
CID 112797150
2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
(2S,3S)-2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099909
(2S,3S)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099769
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid (CID 122099893) is (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid is CC[C@H](C)[C@H](NCC(=O)Nc1ccccc1-c1ccccc1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid?
The InChIKey is FSKZGPKGWHQWSL-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-14(2)19(20(24)25)21-13-18(23)22-17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,19,21H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,19-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid?
(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid has a molecular weight of 340.42 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 122099893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).