2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid

C9H15N3O4 — CID 28507747

IUPAC2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
SMILESNC(=O)C1CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C9H15N3O4/c10-8(15)6-1-3-12(4-2-6)9(16)11-5-7(13)14/h6H,1-5H2,(H2,10,15)(H,11,16)(H,13,14)
InChIKeyFESVSSOZCOBGHU-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.02
Rot. Bonds3

About 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid

2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 28507747) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID28507747
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
SMILESNC(=O)C1CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C9H15N3O4/c10-8(15)6-1-3-12(4-2-6)9(16)11-5-7(13)14/h6H,1-5H2,(H2,10,15)(H,11,16)(H,13,14)
InChIKeyFESVSSOZCOBGHU-UHFFFAOYSA-N
XLogP-1.02
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-carbamoylpiperidine-1-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid (CID 28507747) is 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid is NC(=O)C1CCN(C(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is FESVSSOZCOBGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-8(15)6-1-3-12(4-2-6)9(16)11-5-7(13)14/h6H,1-5H2,(H2,10,15)(H,11,16)(H,13,14).
What are the key properties of 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid?
2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 229.24 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 28507747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).