4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid

C11H19N3O4 — CID 28511462

IUPAC4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid
SMILESNC(=O)C1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c12-10(17)8-3-6-14(7-4-8)11(18)13-5-1-2-9(15)16/h8H,1-7H2,(H2,12,17)(H,13,18)(H,15,16)
InChIKeyLAWBVXDYFCFGGP-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.24
Rot. Bonds5

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

4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 28511462) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID28511462
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid
SMILESNC(=O)C1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c12-10(17)8-3-6-14(7-4-8)11(18)13-5-1-2-9(15)16/h8H,1-7H2,(H2,12,17)(H,13,18)(H,15,16)
InChIKeyLAWBVXDYFCFGGP-UHFFFAOYSA-N
XLogP-0.24
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid (CID 28511462) is 4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid is NC(=O)C1CCN(C(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is LAWBVXDYFCFGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c12-10(17)8-3-6-14(7-4-8)11(18)13-5-1-2-9(15)16/h8H,1-7H2,(H2,12,17)(H,13,18)(H,15,16).
What are the key properties of 4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid?
4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 28511462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).