(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid

C9H12N2O6 — CID 137394958

IUPAC(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCOc1cc(C(=O)NCC[C@@H](O)C(=O)O)on1
InChIInChI=1S/C9H12N2O6/c1-16-7-4-6(17-11-7)8(13)10-3-2-5(12)9(14)15/h4-5,12H,2-3H2,1H3,(H,10,13)(H,14,15)/t5-/m1/s1
InChIKeyBKBHPDQIBLFYGP-RXMQYKEDSA-N
MW244.20 g/mol
LogP-0.75
Rot. Bonds6

About (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid

(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 137394958) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID137394958
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
SMILESCOc1cc(C(=O)NCC[C@@H](O)C(=O)O)on1
InChIInChI=1S/C9H12N2O6/c1-16-7-4-6(17-11-7)8(13)10-3-2-5(12)9(14)15/h4-5,12H,2-3H2,1H3,(H,10,13)(H,14,15)/t5-/m1/s1
InChIKeyBKBHPDQIBLFYGP-RXMQYKEDSA-N
XLogP-0.75
TPSA121.89 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 ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 107834693
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107832382
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 75455329
(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid
CID 120693945
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701525
3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
CID 97353224
N-cyclopentyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573780
2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107832050

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid (CID 137394958) is (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid is COc1cc(C(=O)NCC[C@@H](O)C(=O)O)on1.
What is the InChIKey of (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is BKBHPDQIBLFYGP-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12N2O6/c1-16-7-4-6(17-11-7)8(13)10-3-2-5(12)9(14)15/h4-5,12H,2-3H2,1H3,(H,10,13)(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid?
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 244.20 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 137394958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).