2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid

C15H24N2O4 — CID 97337597

IUPAC2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)[C@@H](C)c1c(C)noc1C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-6-15(7-2,14(19)20)8-16-13(18)9(3)12-10(4)17-21-11(12)5/h9H,6-8H2,1-5H3,(H,16,18)(H,19,20)/t9-/m0/s1
InChIKeyXDPRBIWBTQGGQL-VIFPVBQESA-N
MW296.37 g/mol
LogP2.40
Rot. Bonds7

About 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid

2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 97337597) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID97337597
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)[C@@H](C)c1c(C)noc1C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-6-15(7-2,14(19)20)8-16-13(18)9(3)12-10(4)17-21-11(12)5/h9H,6-8H2,1-5H3,(H,16,18)(H,19,20)/t9-/m0/s1
InChIKeyXDPRBIWBTQGGQL-VIFPVBQESA-N
XLogP2.40
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic 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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111428719
methyl (2S)-2-[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-2-phenylbutanoate
CID 95326951
2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
CID 115429755
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111464175
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 109379728
2-ethyl-2-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]butanoic acid
CID 115430382
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 75469343
2-ethyl-2-[[[2-methyl-3-(4-methylphenyl)propanoyl]amino]methyl]butanoic acid
CID 120688863
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide
CID 95618392
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 75469342
3-[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-4-fluorobenzoic acid
CID 97337342

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid (CID 97337597) is 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)[C@@H](C)c1c(C)noc1C)C(=O)O.
What is the InChIKey of 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is XDPRBIWBTQGGQL-VIFPVBQESA-N. The full InChI is InChI=1S/C15H24N2O4/c1-6-15(7-2,14(19)20)8-16-13(18)9(3)12-10(4)17-21-11(12)5/h9H,6-8H2,1-5H3,(H,16,18)(H,19,20)/t9-/m0/s1.
What are the key properties of 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 97337597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).