(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid

C16H20N2O3 — CID 120510789

IUPAC(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
SMILESCC(C)C[C@H](NCc1cc2ccccc2[nH]c1=O)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-10(2)7-14(16(20)21)17-9-12-8-11-5-3-4-6-13(11)18-15(12)19/h3-6,8,10,14,17H,7,9H2,1-2H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyVZDAMTJWWASNQI-AWEZNQCLSA-N
MW288.35 g/mol
LogP2.12
Rot. Bonds6

About (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid

(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid (PubChem CID 120510789) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
PubChem CID120510789
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
SMILESCC(C)C[C@H](NCc1cc2ccccc2[nH]c1=O)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-10(2)7-14(16(20)21)17-9-12-8-11-5-3-4-6-13(11)18-15(12)19/h3-6,8,10,14,17H,7,9H2,1-2H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyVZDAMTJWWASNQI-AWEZNQCLSA-N
XLogP2.12
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid with MolForge

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Related Compounds

N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 103107561
3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid
CID 166226957
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(4-methylsulfanylbutan-2-ylamino)methyl]-1H-quinolin-2-one
CID 115640570
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
2-[[(1-carboxy-3-methylbutyl)amino]methyl]benzoic acid
CID 66527773
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbenzamide
CID 110324311
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51115860
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid (CID 120510789) is (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid is CC(C)C[C@H](NCc1cc2ccccc2[nH]c1=O)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid?
The InChIKey is VZDAMTJWWASNQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)7-14(16(20)21)17-9-12-8-11-5-3-4-6-13(11)18-15(12)19/h3-6,8,10,14,17H,7,9H2,1-2H3,(H,18,19)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid?
(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid is sourced from PubChem (CID 120510789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).