2-[butyl(cyclopropyl)amino]butanoic acid

C11H21NO2 — CID 61441768

IUPAC2-[butyl(cyclopropyl)amino]butanoic acid
SMILESCCCCN(C1CC1)C(CC)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-5-8-12(9-6-7-9)10(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyQGLLFFHXPJMXLS-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.11
Rot. Bonds7

About 2-[butyl(cyclopropyl)amino]butanoic acid

2-[butyl(cyclopropyl)amino]butanoic acid (PubChem CID 61441768) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]butanoic acid
PubChem CID61441768
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[butyl(cyclopropyl)amino]butanoic acid
SMILESCCCCN(C1CC1)C(CC)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-5-8-12(9-6-7-9)10(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyQGLLFFHXPJMXLS-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
2-[cyclopropyl(heptan-3-yl)amino]acetic acid
CID 65058172
ethyl 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]butanoate
CID 64663364
2-[cyclobutyl(3-hydroxypropyl)amino]butanehydrazide
CID 102873674
2-[acetyl(cyclopropyl)amino]octanoic acid
CID 55232991
2-[cyclopropyl(2-methoxyethyl)amino]butanamide
CID 62900857
(2R)-2-[cyclopropyl(thian-4-yl)amino]butanoic acid
CID 129495494
2-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223685
2-[cyclohexyl(ethyl)amino]pentanoic acid
CID 83040857
2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid
CID 65067690
ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate
CID 64661063
2-N-butyl-2-N-cyclopropylhexane-1,2-diamine
CID 61440730

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]butanoic acid?
The IUPAC name of 2-[butyl(cyclopropyl)amino]butanoic acid (CID 61441768) is 2-[butyl(cyclopropyl)amino]butanoic acid.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]butanoic acid?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]butanoic acid is CCCCN(C1CC1)C(CC)C(=O)O.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]butanoic acid?
The InChIKey is QGLLFFHXPJMXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-8-12(9-6-7-9)10(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[butyl(cyclopropyl)amino]butanoic acid?
2-[butyl(cyclopropyl)amino]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]butanoic acid is sourced from PubChem (CID 61441768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).