(2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid

C14H22N2O5 — CID 129189579

IUPAC(2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid
SMILESCCOC[C@](C)(CCNC(=O)c1cc(CC)no1)C(=O)O
InChIInChI=1S/C14H22N2O5/c1-4-10-8-11(21-16-10)12(17)15-7-6-14(3,13(18)19)9-20-5-2/h8H,4-7,9H2,1-3H3,(H,15,17)(H,18,19)/t14-/m0/s1
InChIKeyDDZYDHNKKVHJRV-AWEZNQCLSA-N
MW298.34 g/mol
LogP1.48
Rot. Bonds9

About (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid

(2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 129189579) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid
PubChem CID129189579
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid
SMILESCCOC[C@](C)(CCNC(=O)c1cc(CC)no1)C(=O)O
InChIInChI=1S/C14H22N2O5/c1-4-10-8-11(21-16-10)12(17)15-7-6-14(3,13(18)19)9-20-5-2/h8H,4-7,9H2,1-3H3,(H,15,17)(H,18,19)/t14-/m0/s1
InChIKeyDDZYDHNKKVHJRV-AWEZNQCLSA-N
XLogP1.48
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid (CID 129189579) is (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid is CCOC[C@](C)(CCNC(=O)c1cc(CC)no1)C(=O)O.
What is the InChIKey of (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is DDZYDHNKKVHJRV-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-4-10-8-11(21-16-10)12(17)15-7-6-14(3,13(18)19)9-20-5-2/h8H,4-7,9H2,1-3H3,(H,15,17)(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid?
(2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 298.34 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxymethyl)-4-[(3-ethyl-1,2-oxazole-5-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 129189579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).