1-amino-2-propylcyclohexane-1-carboxylic acid

C10H19NO2 — CID 121281708

IUPAC1-amino-2-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCCCC1(N)C(=O)O
InChIInChI=1S/C10H19NO2/c1-2-5-8-6-3-4-7-10(8,11)9(12)13/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyMWGFAPNEQSFMBK-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.76
Rot. Bonds3

About 1-amino-2-propylcyclohexane-1-carboxylic acid

1-amino-2-propylcyclohexane-1-carboxylic acid (PubChem CID 121281708) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-amino-2-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-propylcyclohexane-1-carboxylic acid
PubChem CID121281708
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-amino-2-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCCCC1(N)C(=O)O
InChIInChI=1S/C10H19NO2/c1-2-5-8-6-3-4-7-10(8,11)9(12)13/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyMWGFAPNEQSFMBK-UHFFFAOYSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79564018
1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79571683
1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588183
1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid
CID 79571531
2-propylcyclopentane-1,1-dicarboxylic acid
CID 14381279
1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588358
1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79570983
CID 153378305
CID 153378305
2-propylcyclohexane-1,1-diol
CID 19352764
cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid
CID 11804894
cis-(1R,2S)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid
CID 11062512
1-amino-2-[2-(3-hydroxybutan-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 107771724

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-2-propylcyclohexane-1-carboxylic acid (CID 121281708) is 1-amino-2-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-propylcyclohexane-1-carboxylic acid is CCCC1CCCCC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-propylcyclohexane-1-carboxylic acid?
The InChIKey is MWGFAPNEQSFMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-5-8-6-3-4-7-10(8,11)9(12)13/h8H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 1-amino-2-propylcyclohexane-1-carboxylic acid?
1-amino-2-propylcyclohexane-1-carboxylic acid has a molecular weight of 185.27 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-2-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 121281708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).