(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid

C19H23N3O5 — CID 120695225

IUPAC(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1cc(=O)n(C)c2ccccc12)C(=O)O
InChIInChI=1S/C19H23N3O5/c1-11(2)8-14(19(26)27)21-16(23)10-20-18(25)13-9-17(24)22(3)15-7-5-4-6-12(13)15/h4-7,9,11,14H,8,10H2,1-3H3,(H,20,25)(H,21,23)(H,26,27)/t14-/m0/s1
InChIKeySXTJZWVSAVRHMI-AWEZNQCLSA-N
MW373.41 g/mol
LogP0.88
Rot. Bonds7

About (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 120695225) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid
PubChem CID120695225
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1cc(=O)n(C)c2ccccc12)C(=O)O
InChIInChI=1S/C19H23N3O5/c1-11(2)8-14(19(26)27)21-16(23)10-20-18(25)13-9-17(24)22(3)15-7-5-4-6-12(13)15/h4-7,9,11,14H,8,10H2,1-3H3,(H,20,25)(H,21,23)(H,26,27)/t14-/m0/s1
InChIKeySXTJZWVSAVRHMI-AWEZNQCLSA-N
XLogP0.88
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
(2S)-2-[[2-[(3-bromo-2-methylbenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694755
1-methyl-2-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]quinoline-4-carboxamide
CID 122558905
4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid
CID 162868036
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694502
(2S)-2-[[2-[(4-chloro-2-methylbenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695546
(2S)-4-methyl-2-[[2-[(3-methylpyridine-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695622
(2S)-4-methyl-2-[[2-[(3-pyrrol-1-ylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120694912
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55765922

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid (CID 120695225) is (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)CNC(=O)c1cc(=O)n(C)c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is SXTJZWVSAVRHMI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-11(2)8-14(19(26)27)21-16(23)10-20-18(25)13-9-17(24)22(3)15-7-5-4-6-12(13)15/h4-7,9,11,14H,8,10H2,1-3H3,(H,20,25)(H,21,23)(H,26,27)/t14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 373.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120695225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).