2-[(1-acetylcyclohexyl)amino]acetic acid

C10H17NO3 — CID 22020146

IUPAC2-[(1-acetylcyclohexyl)amino]acetic acid
SMILESCC(=O)C1(NCC(=O)O)CCCCC1
InChIInChI=1S/C10H17NO3/c1-8(12)10(11-7-9(13)14)5-3-2-4-6-10/h11H,2-7H2,1H3,(H,13,14)
InChIKeyZZQBVGVKDWSEEJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds4

About 2-[(1-acetylcyclohexyl)amino]acetic acid

2-[(1-acetylcyclohexyl)amino]acetic acid (PubChem CID 22020146) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(1-acetylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-acetylcyclohexyl)amino]acetic acid
PubChem CID22020146
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(1-acetylcyclohexyl)amino]acetic acid
SMILESCC(=O)C1(NCC(=O)O)CCCCC1
InChIInChI=1S/C10H17NO3/c1-8(12)10(11-7-9(13)14)5-3-2-4-6-10/h11H,2-7H2,1H3,(H,13,14)
InChIKeyZZQBVGVKDWSEEJ-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(methylamino)cycloheptyl]ethanone
CID 59493685
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 82238273
2-[(1-cyanocyclohexyl)amino]acetic acid
CID 175519505
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-[(2-amino-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 82238244
1-(2-acetamidoethylamino)cyclohexane-1-carboxylic acid
CID 114988533
2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid
CID 70338287
N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 117060178
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
N-(1-acetylcyclobutyl)acetamide
CID 59658507
2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
CID 175015594

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[(1-acetylcyclohexyl)amino]acetic acid (CID 22020146) is 2-[(1-acetylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-acetylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[(1-acetylcyclohexyl)amino]acetic acid is CC(=O)C1(NCC(=O)O)CCCCC1.
What is the InChIKey of 2-[(1-acetylcyclohexyl)amino]acetic acid?
The InChIKey is ZZQBVGVKDWSEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(12)10(11-7-9(13)14)5-3-2-4-6-10/h11H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[(1-acetylcyclohexyl)amino]acetic acid?
2-[(1-acetylcyclohexyl)amino]acetic acid has a molecular weight of 199.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 22020146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).