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

C10H17N3O4 — CID 43135661

IUPAC2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H17N3O4/c1-12(6-8(14)15)10(17)13-4-2-7(3-5-13)9(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,14,15)
InChIKeyCZJOGHXPKZVNHG-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.68
Rot. Bonds3

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

2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid (PubChem CID 43135661) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid
PubChem CID43135661
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H17N3O4/c1-12(6-8(14)15)10(17)13-4-2-7(3-5-13)9(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,14,15)
InChIKeyCZJOGHXPKZVNHG-UHFFFAOYSA-N
XLogP-0.68
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]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)-methylamino]acetic acid?
The IUPAC name of 2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid (CID 43135661) is 2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid?
The InChIKey is CZJOGHXPKZVNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-12(6-8(14)15)10(17)13-4-2-7(3-5-13)9(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,14,15).
What are the key properties of 2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid?
2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 43135661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).