(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid

C14H17N3O4 — CID 61174671

IUPAC(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1cnc2onc(C)c2c1)C(=O)O
InChIInChI=1S/C14H17N3O4/c1-4-7(2)11(14(19)20)16-12(18)9-5-10-8(3)17-21-13(10)15-6-9/h5-7,11H,4H2,1-3H3,(H,16,18)(H,19,20)/t7?,11-/m0/s1
InChIKeyRILIQWXTKZXXQW-QRIDDKLISA-N
MW291.31 g/mol
LogP1.76
Rot. Bonds5

About (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid

(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid (PubChem CID 61174671) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
PubChem CID61174671
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1cnc2onc(C)c2c1)C(=O)O
InChIInChI=1S/C14H17N3O4/c1-4-7(2)11(14(19)20)16-12(18)9-5-10-8(3)17-21-13(10)15-6-9/h5-7,11H,4H2,1-3H3,(H,16,18)(H,19,20)/t7?,11-/m0/s1
InChIKeyRILIQWXTKZXXQW-QRIDDKLISA-N
XLogP1.76
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 43353324
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoic acid
CID 120520882
(2S)-3,3-dimethyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]butanoic acid
CID 61144104
3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
CID 65220171
2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 66166410
(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 107832863
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 104682580
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25497251
N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 56684520
(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid (CID 61174671) is (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid is CCC(C)[C@H](NC(=O)c1cnc2onc(C)c2c1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The InChIKey is RILIQWXTKZXXQW-QRIDDKLISA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-7(2)11(14(19)20)16-12(18)9-5-10-8(3)17-21-13(10)15-6-9/h5-7,11H,4H2,1-3H3,(H,16,18)(H,19,20)/t7?,11-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid has a molecular weight of 291.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 61174671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).