4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid

C12H23N3O4 — CID 107838981

IUPAC4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCCN1CCCC(NC(=O)NCCC(O)C(=O)O)C1
InChIInChI=1S/C12H23N3O4/c1-2-15-7-3-4-9(8-15)14-12(19)13-6-5-10(16)11(17)18/h9-10,16H,2-8H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyRQTAMHVJWNQRHW-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.39
Rot. Bonds6

About 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid

4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107838981) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107838981
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCCN1CCCC(NC(=O)NCCC(O)C(=O)O)C1
InChIInChI=1S/C12H23N3O4/c1-2-15-7-3-4-9(8-15)14-12(19)13-6-5-10(16)11(17)18/h9-10,16H,2-8H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyRQTAMHVJWNQRHW-UHFFFAOYSA-N
XLogP-0.39
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-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

2-Hydroxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 107839320
2-Hydroxy-4-[[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]butanoic acid
CID 107839792
(2S)-2-hydroxy-4-[[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]butanoic acid
CID 107839793
(2S)-2-hydroxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 114007388
N-(2-aminoethyl)-4-hydroxypiperidine-1-carboxamide;oxalic acid
CID 19852965
(2S)-2-amino-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 70945851
2-Amino-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 70945852
4-Hydroxy-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 90059363
Methyl 4-hydroxy-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 90059364
4-[(4-Hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191656
3-[(4-Hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
3-[(4-Methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61198034

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid (CID 107838981) is 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid is CCN1CCCC(NC(=O)NCCC(O)C(=O)O)C1.
What is the InChIKey of 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is RQTAMHVJWNQRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-2-15-7-3-4-9(8-15)14-12(19)13-6-5-10(16)11(17)18/h9-10,16H,2-8H2,1H3,(H,17,18)(H2,13,14,19).
What are the key properties of 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid?
4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperidin-3-yl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).