4-(butylamino)cyclohexane-1-carboxylic acid

C11H21NO2 — CID 43833931

IUPAC4-(butylamino)cyclohexane-1-carboxylic acid
SMILESCCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyVFEVKXDARMWLAP-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds5

About 4-(butylamino)cyclohexane-1-carboxylic acid

4-(butylamino)cyclohexane-1-carboxylic acid (PubChem CID 43833931) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(butylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(butylamino)cyclohexane-1-carboxylic acid
PubChem CID43833931
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(butylamino)cyclohexane-1-carboxylic acid
SMILESCCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyVFEVKXDARMWLAP-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Aminocyclohexanecarboxylic acid
CID 171560
4-Aminocyclohexane-1-carboxylic acid hydrochloride
CID 24720880
4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
4-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
CID 2755996
3-(3-Piperidinyl)propanoic acid hydrochloride
CID 12514714
4-(Carbamoylamino)cyclohexane-1-carboxylic acid
CID 45792187
Ethyl 4-(ethylamino)cyclohexane-1-carboxylate
CID 57617608
4-(Dimethylamino)cyclohexane-1-carboxylic acid hydrochloride
CID 68452337
4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
Methyl 4-(hexadecylamino)cyclohexane-1-carboxylate
CID 44279893
2-(2-Pyrrolidin-2-ylethyl)decanoic acid
CID 156011574
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(butylamino)cyclohexane-1-carboxylic acid (CID 43833931) is 4-(butylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(butylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(butylamino)cyclohexane-1-carboxylic acid is CCCCNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(butylamino)cyclohexane-1-carboxylic acid?
The InChIKey is VFEVKXDARMWLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-(butylamino)cyclohexane-1-carboxylic acid?
4-(butylamino)cyclohexane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43833931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).