1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid

C11H19NO2 — CID 115021116

IUPAC1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid
SMILESNC(C1CCCCC1)C1(C(=O)O)CC1
InChIInChI=1S/C11H19NO2/c12-9(8-4-2-1-3-5-8)11(6-7-11)10(13)14/h8-9H,1-7,12H2,(H,13,14)
InChIKeyWPVHFDOKGPXHNQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.76
Rot. Bonds3

About 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid

1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115021116) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID115021116
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid
SMILESNC(C1CCCCC1)C1(C(=O)O)CC1
InChIInChI=1S/C11H19NO2/c12-9(8-4-2-1-3-5-8)11(6-7-11)10(13)14/h8-9H,1-7,12H2,(H,13,14)
InChIKeyWPVHFDOKGPXHNQ-UHFFFAOYSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid
CID 116944127
1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944135
1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958209
1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid
CID 175103319
1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
CID 22708862
1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
3-amino-3-cyclohexyl-2-(methylamino)propanoic acid
CID 116946961
1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031
(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338
1-amino-1-cycloheptylpropan-2-one
CID 54549167

Frequently Asked Questions

What is the IUPAC name of 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid (CID 115021116) is 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid is NC(C1CCCCC1)C1(C(=O)O)CC1.
What is the InChIKey of 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is WPVHFDOKGPXHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-9(8-4-2-1-3-5-8)11(6-7-11)10(13)14/h8-9H,1-7,12H2,(H,13,14).
What are the key properties of 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid?
1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115021116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).