2-[(1-acetylpiperidin-4-yl)amino]butanoic acid

C11H20N2O3 — CID 115352992

IUPAC2-[(1-acetylpiperidin-4-yl)amino]butanoic acid
SMILESCCC(NC1CCN(C(C)=O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-10(11(15)16)12-9-4-6-13(7-5-9)8(2)14/h9-10,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyKDGXEDAHQAXOGW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds4

About 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid

2-[(1-acetylpiperidin-4-yl)amino]butanoic acid (PubChem CID 115352992) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)amino]butanoic acid
PubChem CID115352992
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(1-acetylpiperidin-4-yl)amino]butanoic acid
SMILESCCC(NC1CCN(C(C)=O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-10(11(15)16)12-9-4-6-13(7-5-9)8(2)14/h9-10,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyKDGXEDAHQAXOGW-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-acetylpiperidin-4-yl)amino]butanoic 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

2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid
CID 115353170
2-(cyclopentylamino)butanoic acid
CID 60998249
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 43223288
1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
CID 43745923
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]butanoic acid
CID 7058941
2-[(1-acetylpiperidin-4-yl)amino]acetic acid
CID 22034312
2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 64667991
1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
CID 79254180
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
CID 62671383

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid (CID 115352992) is 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid is CCC(NC1CCN(C(C)=O)CC1)C(=O)O.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is KDGXEDAHQAXOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-10(11(15)16)12-9-4-6-13(7-5-9)8(2)14/h9-10,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid?
2-[(1-acetylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 115352992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).