2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid

C11H17NO4 — CID 62758627

IUPAC2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCCOC1)C1CC1
InChIInChI=1S/C11H17NO4/c13-10(14)6-12(9-3-4-9)11(15)8-2-1-5-16-7-8/h8-9H,1-7H2,(H,13,14)
InChIKeyLDIOQEOQNCTEHA-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.49
Rot. Bonds4

About 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid

2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid (PubChem CID 62758627) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid
PubChem CID62758627
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCCOC1)C1CC1
InChIInChI=1S/C11H17NO4/c13-10(14)6-12(9-3-4-9)11(15)8-2-1-5-16-7-8/h8-9H,1-7H2,(H,13,14)
InChIKeyLDIOQEOQNCTEHA-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-cyclopentyloxane-3-carboxamide
CID 63755880
2-[butan-2-yl(oxane-3-carbonyl)amino]acetic acid
CID 55110283
N-(3-aminopropyl)-N-cyclohexyloxane-3-carboxamide
CID 55149190
2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
CID 60825516
2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
CID 81141373
(3R)-oxane-3-carboxylic acid
CID 42554318
2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid
CID 129468876
N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide
CID 63011151
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
(2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid
CID 124694297
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 60827023
N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
CID 63014350

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid (CID 62758627) is 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1CCCOC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid?
The InChIKey is LDIOQEOQNCTEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(14)6-12(9-3-4-9)11(15)8-2-1-5-16-7-8/h8-9H,1-7H2,(H,13,14).
What are the key properties of 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid?
2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid has a molecular weight of 227.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 62758627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).