3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid

C11H19NO4 — CID 104855658

IUPAC3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)[C@H]1CCCO1
InChIInChI=1S/C11H19NO4/c1-3-12(7-8(2)11(14)15)10(13)9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyFULUYOFEUQFYJP-YGPZHTELSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds5

About 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid

3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 104855658) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID104855658
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)[C@H]1CCCO1
InChIInChI=1S/C11H19NO4/c1-3-12(7-8(2)11(14)15)10(13)9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyFULUYOFEUQFYJP-YGPZHTELSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-acetamidoethyl(oxolane-2-carbonyl)amino]-2-methylpropanoic acid
CID 82324305
(2S)-3-[cyclopropyl-[(2S)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 95539140
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyloxane-2-carboxamide
CID 62213541
3-[3,5-dimethyl-N-(oxolane-2-carbonyl)anilino]-2-methylpropanoic acid
CID 82321467
N-ethyl-N-prop-2-enyloxolane-2-carboxamide
CID 84558498
3-[2-methylpropyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 95538874
3-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851955
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143
3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid
CID 62821547
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
N,N-dibutyloxolane-2-carboxamide
CID 3414196
N-(2-hydroxypropyl)-N-methyloxolane-2-carboxamide
CID 62335321

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid (CID 104855658) is 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)[C@H]1CCCO1.
What is the InChIKey of 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is FULUYOFEUQFYJP-YGPZHTELSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-12(7-8(2)11(14)15)10(13)9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 104855658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).