3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid

C10H14N2O4 — CID 115909849

IUPAC3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)c1ccon1
InChIInChI=1S/C10H14N2O4/c1-3-10(2,6-8(13)14)11-9(15)7-4-5-16-12-7/h4-5H,3,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCOIQTEYMTOXXDZ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.05
Rot. Bonds5

About 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid

3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid (PubChem CID 115909849) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
PubChem CID115909849
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)c1ccon1
InChIInChI=1S/C10H14N2O4/c1-3-10(2,6-8(13)14)11-9(15)7-4-5-16-12-7/h4-5H,3,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCOIQTEYMTOXXDZ-UHFFFAOYSA-N
XLogP1.05
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid
CID 115730873
N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 115364627
N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 96560012
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
3-methyl-3-(2-methylbutanoylamino)pentanoic acid
CID 84589310
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
tert-butyl N-[2-methyl-1-(1,2-oxazole-3-carbonylamino)hexan-2-yl]carbamate
CID 175479004
N-(2,6-diethylphenyl)-1,2-oxazole-3-carboxamide
CID 110858252
3-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 166224907

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid?
The IUPAC name of 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid (CID 115909849) is 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid?
The canonical SMILES for 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid is CCC(C)(CC(=O)O)NC(=O)c1ccon1.
What is the InChIKey of 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid?
The InChIKey is COIQTEYMTOXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-10(2,6-8(13)14)11-9(15)7-4-5-16-12-7/h4-5H,3,6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid?
3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,2-oxazole-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 115909849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).