4-amino-1-ethylcyclohexane-1-carboxylic acid

C9H17NO2 — CID 66672784

IUPAC4-amino-1-ethylcyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCC(N)CC1
InChIInChI=1S/C9H17NO2/c1-2-9(8(11)12)5-3-7(10)4-6-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyKHIIJWRAVLEODN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.37
Rot. Bonds2

About 4-amino-1-ethylcyclohexane-1-carboxylic acid

4-amino-1-ethylcyclohexane-1-carboxylic acid (PubChem CID 66672784) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-amino-1-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-ethylcyclohexane-1-carboxylic acid
PubChem CID66672784
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-amino-1-ethylcyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCC(N)CC1
InChIInChI=1S/C9H17NO2/c1-2-9(8(11)12)5-3-7(10)4-6-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyKHIIJWRAVLEODN-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Aminocyclohexanecarboxylic acid
CID 171560
4-Aminocyclohexane-1-carboxylic acid hydrochloride
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2-Amino-2-(1-methylcyclohexyl)acetic acid hydrochloride
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Gabapentin Impurity G
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2-Amino-1-methylcyclohexane-1-carboxylic acid hydrochloride
CID 71758076
2-[1-(2-Aminoethyl)cyclohexyl]acetic acid hydrochloride
CID 121552410
3-(4-aminocyclohexyl)propanoic Acid
CID 4117129
2-Amino-5-[(1-carboxymethyl)cyclohexyl]pentanoic acid
CID 14036663
4-Amino-1-methylcyclohexanecarboxylic acid
CID 19004669
2-(4-Aminocyclohexyl)propanoic acid
CID 20155180
4-Amino-1-methyl-cyclohexanecarboxylic acid hydrochloride
CID 67734619
a-Amino-1-methyl-cyclohexaneacetic acid
CID 22235314

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-amino-1-ethylcyclohexane-1-carboxylic acid (CID 66672784) is 4-amino-1-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-amino-1-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-amino-1-ethylcyclohexane-1-carboxylic acid is CCC1(C(=O)O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-ethylcyclohexane-1-carboxylic acid?
The InChIKey is KHIIJWRAVLEODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-9(8(11)12)5-3-7(10)4-6-9/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-1-ethylcyclohexane-1-carboxylic acid?
4-amino-1-ethylcyclohexane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 66672784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).