2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid

C9H15NO2 — CID 115221350

IUPAC2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CNC1CCC1
InChIInChI=1S/C9H15NO2/c11-9(12)8-4-6(8)5-10-7-2-1-3-7/h6-8,10H,1-5H2,(H,11,12)
InChIKeyHDZRZECNCHINMR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.85
Rot. Bonds4

About 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid

2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221350) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115221350
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CNC1CCC1
InChIInChI=1S/C9H15NO2/c11-9(12)8-4-6(8)5-10-7-2-1-3-7/h6-8,10H,1-5H2,(H,11,12)
InChIKeyHDZRZECNCHINMR-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221553
trans-(1S,2S)-4-[(cyclopropylamino)methyl]cyclohexane-1,2-dicarboxylic acid
CID 68649727
4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753604
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 106824409
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681
2-[[(3-methoxycyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106824408
2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565195
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
cis-(1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylic acid
CID 146256670
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 10654204
trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid (CID 115221350) is 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1CNC1CCC1.
What is the InChIKey of 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is HDZRZECNCHINMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)8-4-6(8)5-10-7-2-1-3-7/h6-8,10H,1-5H2,(H,11,12).
What are the key properties of 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid?
2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).