(2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid

C9H12N2O6 — CID 7020311

IUPAC(2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
SMILESCc1onc(OCC(=O)O)c1C[C@H](N)C(=O)O
InChIInChI=1S/C9H12N2O6/c1-4-5(2-6(10)9(14)15)8(11-17-4)16-3-7(12)13/h6H,2-3,10H2,1H3,(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyOKLRJJIBPYTEDZ-LURJTMIESA-N
MW244.20 g/mol
LogP-0.60
Rot. Bonds6

About (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid

(2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid (PubChem CID 7020311) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
PubChem CID7020311
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name(2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid
SMILESCc1onc(OCC(=O)O)c1C[C@H](N)C(=O)O
InChIInChI=1S/C9H12N2O6/c1-4-5(2-6(10)9(14)15)8(11-17-4)16-3-7(12)13/h6H,2-3,10H2,1H3,(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyOKLRJJIBPYTEDZ-LURJTMIESA-N
XLogP-0.60
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[3-(carboxymethoxy)-5-(2,2-dimethylpropyl)-1,2-oxazol-4-yl]propanoic acid
CID 10542208
2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid;(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
CID 46905300
(2S)-2-azaniumyl-3-[3-(carboxylatomethoxy)-5-methyl-1,2-oxazol-4-yl]propanoate
CID 7020310
4-(2-amino-2-carboxyethyl)-3-(3-methylbut-2-enoxy)-1,2-oxazole-5-carboxylic acid
CID 70010746
4-[(2S)-2-amino-2-carboxyethyl]-3-pent-2-enoxy-1,2-oxazole-5-carboxylic acid
CID 70229444
3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 10398313
(2S)-2-amino-3-(3-methoxy-4-methyl-1,2-oxazol-5-yl)propanoic acid;(2S)-2-amino-3-pyrimidin-2-ylpropanoic acid
CID 67802230
(2S)-2-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 107773582
2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrate
CID 53393722
(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride
CID 172652677
ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
CID 170884921
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid (CID 7020311) is (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid is Cc1onc(OCC(=O)O)c1C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid?
The InChIKey is OKLRJJIBPYTEDZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O6/c1-4-5(2-6(10)9(14)15)8(11-17-4)16-3-7(12)13/h6H,2-3,10H2,1H3,(H,12,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid?
(2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid has a molecular weight of 244.20 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-(carboxymethoxy)-5-methyl-1,2-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 7020311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).