3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid

C10H12N2O7 — CID 155969876

IUPAC3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCOC(=O)c1cc(C(=O)NC(C(=O)O)C(C)O)no1
InChIInChI=1S/C10H12N2O7/c1-4(13)7(9(15)16)11-8(14)5-3-6(19-12-5)10(17)18-2/h3-4,7,13H,1-2H3,(H,11,14)(H,15,16)
InChIKeyRXPWOPGPOSZJFR-UHFFFAOYSA-N
MW272.21 g/mol
LogP-0.98
Rot. Bonds5

About 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid

3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 155969876) has the molecular formula C10H12N2O7 and a molecular weight of 272.21 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID155969876
Molecular FormulaC10H12N2O7
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCOC(=O)c1cc(C(=O)NC(C(=O)O)C(C)O)no1
InChIInChI=1S/C10H12N2O7/c1-4(13)7(9(15)16)11-8(14)5-3-6(19-12-5)10(17)18-2/h3-4,7,13H,1-2H3,(H,11,14)(H,15,16)
InChIKeyRXPWOPGPOSZJFR-UHFFFAOYSA-N
XLogP-0.98
TPSA138.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737
methyl 3-[[(2S,3R)-2-hydroxy-3-methylpentyl]carbamoyl]-1,2-oxazole-5-carboxylate
CID 124844062
5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid
CID 117218137
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
(2S,3R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964855
(2S,3R)-3-hydroxy-2-[(4-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 118608164
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
methyl 3-[(1S)-1-amino-2-methylpropyl]-1,2-oxazole-5-carboxylate
CID 142637039

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 155969876) is 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is COC(=O)c1cc(C(=O)NC(C(=O)O)C(C)O)no1.
What is the InChIKey of 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is RXPWOPGPOSZJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O7/c1-4(13)7(9(15)16)11-8(14)5-3-6(19-12-5)10(17)18-2/h3-4,7,13H,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid has a molecular weight of 272.21 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 155969876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).