(2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid

C12H12N2O3 — CID 142691668

IUPAC(2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1cccc(Nc2ncco2)c1
InChIInChI=1S/C12H12N2O3/c1-8(11(15)16)9-3-2-4-10(7-9)14-12-13-5-6-17-12/h2-8H,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyNYCSVYZYBHXCLM-MRVPVSSYSA-N
MW232.24 g/mol
LogP2.61
Rot. Bonds4

About (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid

(2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid (PubChem CID 142691668) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid
PubChem CID142691668
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1cccc(Nc2ncco2)c1
InChIInChI=1S/C12H12N2O3/c1-8(11(15)16)9-3-2-4-10(7-9)14-12-13-5-6-17-12/h2-8H,1H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyNYCSVYZYBHXCLM-MRVPVSSYSA-N
XLogP2.61
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(pyridin-2-ylamino)phenyl]propanoic acid
CID 92845475
N-(3-phenylphenyl)-1,3-oxazol-2-amine
CID 91160432
2-[3-(2-bromoethylamino)phenyl]propanoic acid
CID 67389671
2-[3-(pyridin-2-ylamino)phenyl]propanamide
CID 67198973
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871
2-[3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 122109426
2-[3-[(S)-hydroxy(phenyl)methyl]phenyl]propanoic acid
CID 67709050
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;hydrate
CID 139796091
2-phenylpropanoic acid;dihydrochloride
CID 162109025
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid?
The IUPAC name of (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid (CID 142691668) is (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid is C[C@@H](C(=O)O)c1cccc(Nc2ncco2)c1.
What is the InChIKey of (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid?
The InChIKey is NYCSVYZYBHXCLM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(11(15)16)9-3-2-4-10(7-9)14-12-13-5-6-17-12/h2-8H,1H3,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid?
(2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid is sourced from PubChem (CID 142691668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).