(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid

C8H12N2O3 — CID 83195269

IUPAC(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
SMILESCc1cc(CN[C@H](C)C(=O)O)on1
InChIInChI=1S/C8H12N2O3/c1-5-3-7(13-10-5)4-9-6(2)8(11)12/h3,6,9H,4H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyRTWGTAUDCRVUDZ-ZCFIWIBFSA-N
MW184.19 g/mol
LogP0.55
Rot. Bonds4

About (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid

(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid (PubChem CID 83195269) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
PubChem CID83195269
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
SMILESCc1cc(CN[C@H](C)C(=O)O)on1
InChIInChI=1S/C8H12N2O3/c1-5-3-7(13-10-5)4-9-6(2)8(11)12/h3,6,9H,4H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyRTWGTAUDCRVUDZ-ZCFIWIBFSA-N
XLogP0.55
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic 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

methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate
CID 97069579
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961
tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
CID 103389676
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103246275
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
CID 115000495
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
(E)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]prop-2-enoic acid
CID 103246624
3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 81069651
2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62309915
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid (CID 83195269) is (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid is Cc1cc(CN[C@H](C)C(=O)O)on1.
What is the InChIKey of (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid?
The InChIKey is RTWGTAUDCRVUDZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-3-7(13-10-5)4-9-6(2)8(11)12/h3,6,9H,4H2,1-2H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid?
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid is sourced from PubChem (CID 83195269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).