(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid

C11H16N2O4 — CID 110835139

IUPAC(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1nc(C)co1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-6(2)8(11(15)16)13-9(14)10-12-7(3)5-17-10/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16)/t6-,8-/m0/s1
InChIKeyQHIGGGADOVPFJO-XPUUQOCRSA-N
MW240.26 g/mol
LogP1.21
Rot. Bonds5

About (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid

(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid (PubChem CID 110835139) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid
PubChem CID110835139
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1nc(C)co1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-6(2)8(11(15)16)13-9(14)10-12-7(3)5-17-10/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16)/t6-,8-/m0/s1
InChIKeyQHIGGGADOVPFJO-XPUUQOCRSA-N
XLogP1.21
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952
(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoic acid
CID 106683406
3-methyl-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pentanoic acid
CID 82032893
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S,3S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylpentanoic acid
CID 119193998
(2S,3S)-3-methyl-2-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119194155
(2S,3S)-3-methyl-2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 110835380
(2S,3S)-2-[(3-chlorofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 110836847
3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071894
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82032865

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid (CID 110835139) is (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)c1nc(C)co1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid?
The InChIKey is QHIGGGADOVPFJO-XPUUQOCRSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-6(2)8(11(15)16)13-9(14)10-12-7(3)5-17-10/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16)/t6-,8-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid?
(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 110835139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).