(2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid

C14H15N3O4 — CID 119359709

IUPAC(2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(-c2ccccn2)no1)C(=O)O
InChIInChI=1S/C14H15N3O4/c1-8(2)12(14(19)20)16-13(18)11-7-10(17-21-11)9-5-3-4-6-15-9/h3-8,12H,1-2H3,(H,16,18)(H,19,20)/t12-/m0/s1
InChIKeyNVHHNHVXGJEBMY-LBPRGKRZSA-N
MW289.29 g/mol
LogP1.58
Rot. Bonds5

About (2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid

(2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 119359709) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID119359709
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(-c2ccccn2)no1)C(=O)O
InChIInChI=1S/C14H15N3O4/c1-8(2)12(14(19)20)16-13(18)11-7-10(17-21-11)9-5-3-4-6-15-9/h3-8,12H,1-2H3,(H,16,18)(H,19,20)/t12-/m0/s1
InChIKeyNVHHNHVXGJEBMY-LBPRGKRZSA-N
XLogP1.58
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
3-methyl-2-[[3-[4-(pyridin-2-ylcarbamoylamino)phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 67353222
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405
N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
CID 71984376
3-pyridin-2-yl-N-(1,2,5-thiadiazol-3-yl)-1,2-oxazole-5-carboxamide
CID 166337258
methyl 3-methyl-2-[[3-[4-(pyridin-2-ylcarbamoylamino)phenyl]-1,2-oxazole-5-carbonyl]amino]butanoate
CID 67353498
3-methyl-2-(pyrimidine-2-carbonylamino)butanoic acid
CID 115729571
(2S)-3-methyl-2-[[3-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 67353565
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
(2S)-3-methyl-2-[[3-[4-[[2-oxo-2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 66572309

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 119359709) is (2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid is CC(C)[C@H](NC(=O)c1cc(-c2ccccn2)no1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is NVHHNHVXGJEBMY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8(2)12(14(19)20)16-13(18)11-7-10(17-21-11)9-5-3-4-6-15-9/h3-8,12H,1-2H3,(H,16,18)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid?
(2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 289.29 g/mol, XLogP of 1.58, 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-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119359709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).