3-[butyl(cyclopropanecarbonyl)amino]propanoic acid

C11H19NO3 — CID 82323933

IUPAC3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
SMILESCCCCN(CCC(=O)O)C(=O)C1CC1
InChIInChI=1S/C11H19NO3/c1-2-3-7-12(8-6-10(13)14)11(15)9-4-5-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyIEDXVZUADWXFBA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds7

About 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid

3-[butyl(cyclopropanecarbonyl)amino]propanoic acid (PubChem CID 82323933) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
PubChem CID82323933
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
SMILESCCCCN(CCC(=O)O)C(=O)C1CC1
InChIInChI=1S/C11H19NO3/c1-2-3-7-12(8-6-10(13)14)11(15)9-4-5-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyIEDXVZUADWXFBA-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
CID 82323958
N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
CID 63391533
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
3-[(4-tert-butylcyclohexanecarbonyl)-ethylamino]propanoic acid
CID 61007609
N-(2-aminoethyl)-N-butylcyclooctanecarboxamide
CID 65020868
3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
N,N-dihexylpiperidine-4-carboxamide
CID 60947458
N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
CID 82103692
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid (CID 82323933) is 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid is CCCCN(CCC(=O)O)C(=O)C1CC1.
What is the InChIKey of 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is IEDXVZUADWXFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-7-12(8-6-10(13)14)11(15)9-4-5-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid?
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(cyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 82323933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).