(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid

C11H16N2O4 — CID 119360778

IUPAC(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)Cc1ccon1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-7(2)5-9(11(15)16)12-10(14)6-8-3-4-17-13-8/h3-4,7,9H,5-6H2,1-2H3,(H,12,14)(H,15,16)/t9-/m0/s1
InChIKeyUAKQXEFHNKLEBC-VIFPVBQESA-N
MW240.26 g/mol
LogP0.83
Rot. Bonds6

About (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid (PubChem CID 119360778) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
PubChem CID119360778
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)Cc1ccon1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-7(2)5-9(11(15)16)12-10(14)6-8-3-4-17-13-8/h3-4,7,9H,5-6H2,1-2H3,(H,12,14)(H,15,16)/t9-/m0/s1
InChIKeyUAKQXEFHNKLEBC-VIFPVBQESA-N
XLogP0.83
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
2-[[2-(2-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 120516070
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
2-[[2-(8-aminoquinolin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 110451199
(2S)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 29131429
(2S)-2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid;methanethiol
CID 142371292
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
ethane;(2S)-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetyl]amino]pentanamide;toluene
CID 144562199
(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 110836656

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid (CID 119360778) is (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)Cc1ccon1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is UAKQXEFHNKLEBC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(2)5-9(11(15)16)12-10(14)6-8-3-4-17-13-8/h3-4,7,9H,5-6H2,1-2H3,(H,12,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119360778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).