2-[cyclobutyl(methylamino)methyl]butanoic acid

C10H19NO2 — CID 116959758

IUPAC2-[cyclobutyl(methylamino)methyl]butanoic acid
SMILESCCC(C(=O)O)C(NC)C1CCC1
InChIInChI=1S/C10H19NO2/c1-3-8(10(12)13)9(11-2)7-5-4-6-7/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyKDIZAWBVKXJNKY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds5

About 2-[cyclobutyl(methylamino)methyl]butanoic acid

2-[cyclobutyl(methylamino)methyl]butanoic acid (PubChem CID 116959758) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[cyclobutyl(methylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[cyclobutyl(methylamino)methyl]butanoic acid
PubChem CID116959758
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[cyclobutyl(methylamino)methyl]butanoic acid
SMILESCCC(C(=O)O)C(NC)C1CCC1
InChIInChI=1S/C10H19NO2/c1-3-8(10(12)13)9(11-2)7-5-4-6-7/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyKDIZAWBVKXJNKY-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[cyclohexyl(methylamino)methyl]butanoate
CID 116960442
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]butanoic acid
CID 94426880
3-amino-4-cyclobutyl-4-(methylamino)butanoic acid
CID 116957961
1-cyclobutyl-2-ethyl-N-methylpropane-1,3-diamine
CID 116960098
2-[cyclopentyl(methylamino)methyl]butan-1-ol
CID 116959950
2-[hydroxy(oxan-3-yl)methyl]butanoic acid
CID 63740789
2-cycloheptylbutanoic acid
CID 79007061
1-cyclobutyl-N,2,3-trimethylbutan-1-amine
CID 105049433
CID 173256646
CID 173256646
2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
CID 69268124
2-(1-cyclopentylethylamino)butanoic acid
CID 64667783
2-amino-3-(methylamino)-3-(oxan-4-yl)propanoic acid
CID 116957433

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(methylamino)methyl]butanoic acid?
The IUPAC name of 2-[cyclobutyl(methylamino)methyl]butanoic acid (CID 116959758) is 2-[cyclobutyl(methylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[cyclobutyl(methylamino)methyl]butanoic acid?
The canonical SMILES for 2-[cyclobutyl(methylamino)methyl]butanoic acid is CCC(C(=O)O)C(NC)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(methylamino)methyl]butanoic acid?
The InChIKey is KDIZAWBVKXJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8(10(12)13)9(11-2)7-5-4-6-7/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[cyclobutyl(methylamino)methyl]butanoic acid?
2-[cyclobutyl(methylamino)methyl]butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(methylamino)methyl]butanoic acid is sourced from PubChem (CID 116959758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).