(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride

C7H11ClN2O4 — CID 172652677

IUPAC(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride
SMILESCc1o[nH]c(=O)c1C[C@H](N)C(=O)O.Cl
InChIInChI=1S/C7H10N2O4.ClH/c1-3-4(6(10)9-13-3)2-5(8)7(11)12;/h5H,2,8H2,1H3,(H,9,10)(H,11,12);1H/t5-;/m0./s1
InChIKeyCKVBWVWGMKTZAG-JEDNCBNOSA-N
MW222.63 g/mol
LogP-0.35
Rot. Bonds3

About (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride

(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride (PubChem CID 172652677) has the molecular formula C7H11ClN2O4 and a molecular weight of 222.63 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride
PubChem CID172652677
Molecular FormulaC7H11ClN2O4
Molecular Weight222.63 g/mol
Exact Mass222.04
IUPAC Name(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride
SMILESCc1o[nH]c(=O)c1C[C@H](N)C(=O)O.Cl
InChIInChI=1S/C7H10N2O4.ClH/c1-3-4(6(10)9-13-3)2-5(8)7(11)12;/h5H,2,8H2,1H3,(H,9,10)(H,11,12);1H/t5-;/m0./s1
InChIKeyCKVBWVWGMKTZAG-JEDNCBNOSA-N
XLogP-0.35
TPSA109.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride 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-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrate
CID 53393722
(2R)-2-amino-3-(4-butyl-3-oxo-1,2-oxazol-5-yl)propanoic acid
CID 10036720
2-amino-3-(5-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
CID 10489524
2-amino-3-[3-oxo-5-(1-propyltetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid
CID 11460225
[(1S)-1-carboxy-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propyl]azanium bromide
CID 10636513
2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid
CID 57347808
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2S)-2-amino-3-(3-oxo-4-phenyl-1,2-oxazol-5-yl)propanoic acid
CID 10332242
2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid
CID 84780585
4-[(2S)-2-amino-2-carboxyethyl]-3,5-dimethylbenzoic acid;hydrochloride
CID 141482509
(2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
CID 7020311
2-amino-3-(2,3,6-trimethylphenyl)propanoic acid
CID 122505443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride (CID 172652677) is (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride is Cc1o[nH]c(=O)c1C[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride?
The InChIKey is CKVBWVWGMKTZAG-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H10N2O4.ClH/c1-3-4(6(10)9-13-3)2-5(8)7(11)12;/h5H,2,8H2,1H3,(H,9,10)(H,11,12);1H/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride?
(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride has a molecular weight of 222.63 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 172652677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).