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

C11H19NO4 — CID 62821547

IUPAC3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)C1CCCO1)C(C)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-3-12(8(2)7-10(13)14)11(15)9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyORDKKWDZQRTEMC-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

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

3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid (PubChem CID 62821547) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid
PubChem CID62821547
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid
SMILESCCN(C(=O)C1CCCO1)C(C)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-3-12(8(2)7-10(13)14)11(15)9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyORDKKWDZQRTEMC-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1,4-dioxane-2-carbonyl(ethyl)amino]butanoic acid
CID 62822627
3-[ethyl-(5-methyloxolane-2-carbonyl)amino]butanoic acid
CID 81324296
2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid
CID 62214579
N-(2-hydroxyethyl)-N-propan-2-yloxolane-2-carboxamide
CID 43573102
3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 104855658
N-(2-aminoethyl)-N-propan-2-yloxolane-2-carboxamide
CID 61349708
3-[2-methylpropyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 95538874
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
3-[(1,1-dioxothiane-2-carbonyl)-ethylamino]butanoic acid
CID 104517569
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005
3-(oxolan-2-yl)butanoic acid
CID 3727496

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid (CID 62821547) is 3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid is CCN(C(=O)C1CCCO1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid?
The InChIKey is ORDKKWDZQRTEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-12(8(2)7-10(13)14)11(15)9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid?
3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 62821547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).