2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid

C13H23N3O4 — CID 63066843

IUPAC2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C13H23N3O4/c1-9(2)6-16(8-11(17)18)13(20)15-5-3-4-10(7-15)12(14)19/h9-10H,3-8H2,1-2H3,(H2,14,19)(H,17,18)
InChIKeyZEBPGHDVQDIOPC-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.35
Rot. Bonds5

About 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63066843) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63066843
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C13H23N3O4/c1-9(2)6-16(8-11(17)18)13(20)15-5-3-4-10(7-15)12(14)19/h9-10H,3-8H2,1-2H3,(H2,14,19)(H,17,18)
InChIKeyZEBPGHDVQDIOPC-UHFFFAOYSA-N
XLogP0.35
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]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

2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064381
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63548304
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372
N,N-bis(2-methylpropyl)piperidine-1-carboxamide
CID 115589131
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63065252
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373
4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81072984
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 63066843) is 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is ZEBPGHDVQDIOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(2)6-16(8-11(17)18)13(20)15-5-3-4-10(7-15)12(14)19/h9-10H,3-8H2,1-2H3,(H2,14,19)(H,17,18).
What are the key properties of 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).