(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid

C14H17N3O3 — CID 137098064

IUPAC(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
SMILESCC(C)C[C@H](Nc1nc2ccccc2c(=O)[nH]1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-8(2)7-11(13(19)20)16-14-15-10-6-4-3-5-9(10)12(18)17-14/h3-6,8,11H,7H2,1-2H3,(H,19,20)(H2,15,16,17,18)/t11-/m0/s1
InChIKeyIDSNQIZHVVZINQ-NSHDSACASA-N
MW275.31 g/mol
LogP1.83
Rot. Bonds5

About (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid

(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid (PubChem CID 137098064) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
PubChem CID137098064
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
SMILESCC(C)C[C@H](Nc1nc2ccccc2c(=O)[nH]1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-8(2)7-11(13(19)20)16-14-15-10-6-4-3-5-9(10)12(18)17-14/h3-6,8,11H,7H2,1-2H3,(H,19,20)(H2,15,16,17,18)/t11-/m0/s1
InChIKeyIDSNQIZHVVZINQ-NSHDSACASA-N
XLogP1.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 136580210
2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
CID 136747972
2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
CID 167753419
6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one
CID 136808768
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
CID 136747997
2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide
CID 135460578

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid (CID 137098064) is (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid is CC(C)C[C@H](Nc1nc2ccccc2c(=O)[nH]1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid?
The InChIKey is IDSNQIZHVVZINQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)7-11(13(19)20)16-14-15-10-6-4-3-5-9(10)12(18)17-14/h3-6,8,11H,7H2,1-2H3,(H,19,20)(H2,15,16,17,18)/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid?
(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 137098064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).