4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid

C13H25N3O4 — CID 107841534

IUPAC4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid
SMILESCN1CCC(C)(CNC(=O)NCCC(O)C(=O)O)CC1
InChIInChI=1S/C13H25N3O4/c1-13(4-7-16(2)8-5-13)9-15-12(20)14-6-3-10(17)11(18)19/h10,17H,3-9H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyNWCXYRQMWPRGDO-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.15
Rot. Bonds6

About 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid

4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107841534) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid
PubChem CID107841534
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid
SMILESCN1CCC(C)(CNC(=O)NCCC(O)C(=O)O)CC1
InChIInChI=1S/C13H25N3O4/c1-13(4-7-16(2)8-5-13)9-15-12(20)14-6-3-10(17)11(18)19/h10,17H,3-9H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyNWCXYRQMWPRGDO-UHFFFAOYSA-N
XLogP-0.15
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic 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

(2S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 107164775
(2S,3S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-methylpentanoic acid
CID 107164847
(2S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 107164845
2-hydroxy-4-[(1-methylsulfanylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 114117173
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-ethylbutanoic acid
CID 107164815
4-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 107163980
2-hydroxy-4-(2-thiomorpholin-4-ylethylcarbamoylamino)butanoic acid
CID 114173920
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide
CID 107163609
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
CID 107164032
(2S)-2-hydroxy-4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]butanoic acid
CID 114007613

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid (CID 107841534) is 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid is CN1CCC(C)(CNC(=O)NCCC(O)C(=O)O)CC1.
What is the InChIKey of 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is NWCXYRQMWPRGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-13(4-7-16(2)8-5-13)9-15-12(20)14-6-3-10(17)11(18)19/h10,17H,3-9H2,1-2H3,(H,18,19)(H2,14,15,20).
What are the key properties of 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid?
4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 287.36 g/mol, XLogP of -0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107841534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).