3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride

C10H20ClNO2 — CID 75481142

IUPAC3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride
SMILESCN(CCC(=O)O)C1CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-11(8-7-10(12)13)9-5-3-2-4-6-9;/h9H,2-8H2,1H3,(H,12,13);1H
InChIKeyGTNNURAAHHYMIF-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.15
Rot. Bonds4

About 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride

3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride (PubChem CID 75481142) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride
PubChem CID75481142
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride
SMILESCN(CCC(=O)O)C1CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-11(8-7-10(12)13)9-5-3-2-4-6-9;/h9H,2-8H2,1H3,(H,12,13);1H
InChIKeyGTNNURAAHHYMIF-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Piperidin-1-yl)propanoic acid hydrochloride
CID 13131921
3-(N-Methylpentylamino)propionic acid hydrochloride
CID 16726423
N-Methyl-N-pentyl-beta-alanine
CID 16036977
3-(2-Methylpiperidin-1-yl)propanoic acid
CID 3157941
Methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 15564945
3-[Methyl(pentan-2-yl)amino]propanoic acid hydrochloride
CID 134691764
3-(Methyl(pentan-3-yl)amino)propanoic acid hydrochloride
CID 134691765
3-(Cyclohexylamino)propanoic acid hydrochloride
CID 137971686
3-[Ethyl(pentyl)amino]propanoic acid hydrochloride
CID 145874798
3-(Pentyl(propan-2-yl)amino)propanoic acid hydrochloride
CID 145913728
3-(Pentyl(propyl)amino)propanoic acid hydrochloride
CID 145915383
3-(1-Piperidinyl)butanoic acid
CID 10512494

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride?
The IUPAC name of 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride (CID 75481142) is 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride is CN(CCC(=O)O)C1CCCCC1.Cl.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride?
The InChIKey is GTNNURAAHHYMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-11(8-7-10(12)13)9-5-3-2-4-6-9;/h9H,2-8H2,1H3,(H,12,13);1H.
What are the key properties of 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride?
3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 75481142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).