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

C10H14N2O5 — CID 129372393

IUPAC(2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCc1cc(C(=O)NC[C@H](C)C(=O)O)no1
InChIInChI=1S/C10H14N2O5/c1-6(10(14)15)4-11-9(13)8-3-7(5-16-2)17-12-8/h3,6H,4-5H2,1-2H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyDEIJNRDCORKWOT-LURJTMIESA-N
MW242.23 g/mol
LogP0.27
Rot. Bonds6

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

(2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 129372393) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid
PubChem CID129372393
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name(2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCc1cc(C(=O)NC[C@H](C)C(=O)O)no1
InChIInChI=1S/C10H14N2O5/c1-6(10(14)15)4-11-9(13)8-3-7(5-16-2)17-12-8/h3,6H,4-5H2,1-2H3,(H,11,13)(H,14,15)/t6-/m0/s1
InChIKeyDEIJNRDCORKWOT-LURJTMIESA-N
XLogP0.27
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of (2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid (CID 129372393) is (2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid is COCc1cc(C(=O)NC[C@H](C)C(=O)O)no1.
What is the InChIKey of (2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is DEIJNRDCORKWOT-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6(10(14)15)4-11-9(13)8-3-7(5-16-2)17-12-8/h3,6H,4-5H2,1-2H3,(H,11,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid?
(2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 242.23 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 129372393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).