2-(4-cyclohexylbutanoylamino)acetic acid

C12H21NO3 — CID 15704415

IUPAC2-(4-cyclohexylbutanoylamino)acetic acid
SMILESO=C(O)CNC(=O)CCCC1CCCCC1
InChIInChI=1S/C12H21NO3/c14-11(13-9-12(15)16)8-4-7-10-5-2-1-3-6-10/h10H,1-9H2,(H,13,14)(H,15,16)
InChIKeyNVIWTVZYABXHIM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds6

About 2-(4-cyclohexylbutanoylamino)acetic acid

2-(4-cyclohexylbutanoylamino)acetic acid (PubChem CID 15704415) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(4-cyclohexylbutanoylamino)acetic acid.

Molecular Properties

Compound Name2-(4-cyclohexylbutanoylamino)acetic acid
PubChem CID15704415
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(4-cyclohexylbutanoylamino)acetic acid
SMILESO=C(O)CNC(=O)CCCC1CCCCC1
InChIInChI=1S/C12H21NO3/c14-11(13-9-12(15)16)8-4-7-10-5-2-1-3-6-10/h10H,1-9H2,(H,13,14)(H,15,16)
InChIKeyNVIWTVZYABXHIM-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-cyclohexylbutanoylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053
2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 106005063
(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 107833229
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
CID 81164040
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylbutanoylamino)acetic acid?
The IUPAC name of 2-(4-cyclohexylbutanoylamino)acetic acid (CID 15704415) is 2-(4-cyclohexylbutanoylamino)acetic acid.
What is the SMILES notation for 2-(4-cyclohexylbutanoylamino)acetic acid?
The canonical SMILES for 2-(4-cyclohexylbutanoylamino)acetic acid is O=C(O)CNC(=O)CCCC1CCCCC1.
What is the InChIKey of 2-(4-cyclohexylbutanoylamino)acetic acid?
The InChIKey is NVIWTVZYABXHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11(13-9-12(15)16)8-4-7-10-5-2-1-3-6-10/h10H,1-9H2,(H,13,14)(H,15,16).
What are the key properties of 2-(4-cyclohexylbutanoylamino)acetic acid?
2-(4-cyclohexylbutanoylamino)acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylbutanoylamino)acetic acid is sourced from PubChem (CID 15704415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).