3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid

C9H12N2O3 — CID 83831154

IUPAC3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid
SMILESNC(CC(=O)O)c1cnoc1C1CC1
InChIInChI=1S/C9H12N2O3/c10-7(3-8(12)13)6-4-11-14-9(6)5-1-2-5/h4-5,7H,1-3,10H2,(H,12,13)
InChIKeyXGXDIJNWNHVWIL-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.03
Rot. Bonds4

About 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid

3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid (PubChem CID 83831154) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid
PubChem CID83831154
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid
SMILESNC(CC(=O)O)c1cnoc1C1CC1
InChIInChI=1S/C9H12N2O3/c10-7(3-8(12)13)6-4-11-14-9(6)5-1-2-5/h4-5,7H,1-3,10H2,(H,12,13)
InChIKeyXGXDIJNWNHVWIL-UHFFFAOYSA-N
XLogP1.03
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid
CID 83828308
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779
4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid
CID 82601922
(3S)-3-amino-3-(2-aminofuran-3-yl)propanoic acid
CID 130725471
5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
CID 14819893
3-amino-3-(5-cyclopropyl-1H-pyrazol-3-yl)propanoic acid
CID 83830941
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
3-amino-3-[2-(oxetan-3-ylsulfonyl)phenyl]propanoic acid
CID 117459436
3-amino-3-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117447910
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
3-(1,2-benzoxazol-4-yl)-3-cyclopropylpropanoic acid
CID 117333889
3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid
CID 116881823

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid (CID 83831154) is 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid is NC(CC(=O)O)c1cnoc1C1CC1.
What is the InChIKey of 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid?
The InChIKey is XGXDIJNWNHVWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-7(3-8(12)13)6-4-11-14-9(6)5-1-2-5/h4-5,7H,1-3,10H2,(H,12,13).
What are the key properties of 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid?
3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 83831154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).