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

C10H14N2O6 — CID 107834693

IUPAC(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
SMILESCOCc1cc(C(=O)NCC[C@H](O)C(=O)O)no1
InChIInChI=1S/C10H14N2O6/c1-17-5-6-4-7(12-18-6)9(14)11-3-2-8(13)10(15)16/h4,8,13H,2-3,5H2,1H3,(H,11,14)(H,15,16)/t8-/m0/s1
InChIKeyQKJRKDQRFAPBJT-QMMMGPOBSA-N
MW258.23 g/mol
LogP-0.61
Rot. Bonds7

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

(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid (PubChem CID 107834693) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
PubChem CID107834693
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
SMILESCOCc1cc(C(=O)NCC[C@H](O)C(=O)O)no1
InChIInChI=1S/C10H14N2O6/c1-17-5-6-4-7(12-18-6)9(14)11-3-2-8(13)10(15)16/h4,8,13H,2-3,5H2,1H3,(H,11,14)(H,15,16)/t8-/m0/s1
InChIKeyQKJRKDQRFAPBJT-QMMMGPOBSA-N
XLogP-0.61
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
CID 66156134
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid
CID 81066277
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119548605
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 111566193
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
4-amino-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-4-oxobutanoic acid
CID 66156724
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid (CID 107834693) is (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid is COCc1cc(C(=O)NCC[C@H](O)C(=O)O)no1.
What is the InChIKey of (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The InChIKey is QKJRKDQRFAPBJT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-17-5-6-4-7(12-18-6)9(14)11-3-2-8(13)10(15)16/h4,8,13H,2-3,5H2,1H3,(H,11,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid?
(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid has a molecular weight of 258.23 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 107834693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).