(2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide

C15H21N5O3 — CID 157131879

IUPAC(2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide
SMILESNC(=O)c1cccc2nccnc12.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C9H7N3O.C6H14N2O2/c10-9(13)6-2-1-3-7-8(6)12-5-4-11-7;7-4-2-1-3-5(8)6(9)10/h1-5H,(H2,10,13);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
InChIKeyAJEAVYATGFGJPJ-ZSCHJXSPSA-N
MW319.37 g/mol
LogP0.26
Rot. Bonds6

About (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide

(2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide (PubChem CID 157131879) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide
PubChem CID157131879
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide
SMILESNC(=O)c1cccc2nccnc12.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C9H7N3O.C6H14N2O2/c10-9(13)6-2-1-3-7-8(6)12-5-4-11-7;7-4-2-1-3-5(8)6(9)10/h1-5H,(H2,10,13);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
InChIKeyAJEAVYATGFGJPJ-ZSCHJXSPSA-N
XLogP0.26
TPSA158.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,3-dicarboxamide;(2S)-2,6-diaminohexanoic acid
CID 67324648
benzene-1,3-dicarboxamide;2,6-diaminohexanoic acid
CID 77267129
N-(5-aminopentyl)-N-methylquinoxaline-5-carboxamide
CID 107206630
tris((2S)-2,6-diaminohexanoic acid);iron(3+);trichloride
CID 10326246
2,6-diaminohexanoic acid;hydron;chloride
CID 53394783
carbamic acid;(2S)-2,6-diaminohexanoic acid
CID 87706019
(2S)-2,6-diaminohexanoic acid;hydron;dichloride
CID 45382156
(2S)-2,6-diaminohexanoic acid;urea
CID 87191156
sodium;2,6-diaminohexanoic acid;chloride
CID 175575487
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,6-diaminohexanoic acid;diphenylmethanamine
CID 78006894
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide (CID 157131879) is (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide is NC(=O)c1cccc2nccnc12.NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide?
The InChIKey is AJEAVYATGFGJPJ-ZSCHJXSPSA-N. The full InChI is InChI=1S/C9H7N3O.C6H14N2O2/c10-9(13)6-2-1-3-7-8(6)12-5-4-11-7;7-4-2-1-3-5(8)6(9)10/h1-5H,(H2,10,13);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide?
(2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;quinoxaline-5-carboxamide is sourced from PubChem (CID 157131879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).