4-[(2-amino-2-oxoethyl)amino]butanoic acid

C6H12N2O3 — CID 43377947

IUPAC4-[(2-amino-2-oxoethyl)amino]butanoic acid
SMILESNC(=O)CNCCCC(=O)O
InChIInChI=1S/C6H12N2O3/c7-5(9)4-8-3-1-2-6(10)11/h8H,1-4H2,(H2,7,9)(H,10,11)
InChIKeyPZEPCCZCHJWAHZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.07
Rot. Bonds6

About 4-[(2-amino-2-oxoethyl)amino]butanoic acid

4-[(2-amino-2-oxoethyl)amino]butanoic acid (PubChem CID 43377947) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)amino]butanoic acid
PubChem CID43377947
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name4-[(2-amino-2-oxoethyl)amino]butanoic acid
SMILESNC(=O)CNCCCC(=O)O
InChIInChI=1S/C6H12N2O3/c7-5(9)4-8-3-1-2-6(10)11/h8H,1-4H2,(H2,7,9)(H,10,11)
InChIKeyPZEPCCZCHJWAHZ-UHFFFAOYSA-N
XLogP-1.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.07
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-[(2-amino-2-oxoethyl)amino]butanoic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)amino]butanoic acid (CID 43377947) is 4-[(2-amino-2-oxoethyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)amino]butanoic acid is NC(=O)CNCCCC(=O)O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)amino]butanoic acid?
The InChIKey is PZEPCCZCHJWAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-5(9)4-8-3-1-2-6(10)11/h8H,1-4H2,(H2,7,9)(H,10,11).
What are the key properties of 4-[(2-amino-2-oxoethyl)amino]butanoic acid?
4-[(2-amino-2-oxoethyl)amino]butanoic acid has a molecular weight of 160.17 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)amino]butanoic acid is sourced from PubChem (CID 43377947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).