[(5S)-5-amino-5-carboxypentyl]azanium

C6H15N2O2+ — CID 641599

IUPAC[(5S)-5-amino-5-carboxypentyl]azanium
SMILESN[C@@H](CCCC[NH3+])C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
MW147.20 g/mol
LogP-1.19
Rot. Bonds5

About [(5S)-5-amino-5-carboxypentyl]azanium

[(5S)-5-amino-5-carboxypentyl]azanium (PubChem CID 641599) has the molecular formula C6H15N2O2+ and a molecular weight of 147.20 g/mol. Its IUPAC name is [(5S)-5-amino-5-carboxypentyl]azanium.

Molecular Properties

Compound Name[(5S)-5-amino-5-carboxypentyl]azanium
PubChem CID641599
Molecular FormulaC6H15N2O2+
Molecular Weight147.20 g/mol
Exact Mass147.11
IUPAC Name[(5S)-5-amino-5-carboxypentyl]azanium
SMILESN[C@@H](CCCC[NH3+])C(=O)O
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
XLogP-1.19
TPSA90.96 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(5S)-5-amino-5-carboxypentyl]azanium 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 [(5S)-5-amino-5-carboxypentyl]azanium?
The IUPAC name of [(5S)-5-amino-5-carboxypentyl]azanium (CID 641599) is [(5S)-5-amino-5-carboxypentyl]azanium.
What is the SMILES notation for [(5S)-5-amino-5-carboxypentyl]azanium?
The canonical SMILES for [(5S)-5-amino-5-carboxypentyl]azanium is N[C@@H](CCCC[NH3+])C(=O)O.
What is the InChIKey of [(5S)-5-amino-5-carboxypentyl]azanium?
The InChIKey is KDXKERNSBIXSRK-YFKPBYRVSA-O. The full InChI is InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1.
What are the key properties of [(5S)-5-amino-5-carboxypentyl]azanium?
[(5S)-5-amino-5-carboxypentyl]azanium has a molecular weight of 147.20 g/mol, XLogP of -1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-amino-5-carboxypentyl]azanium is sourced from PubChem (CID 641599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).