(2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid

C8H15N3O3 — CID 175071330

IUPAC(2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid
SMILES[H]/N=C/C(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C8H15N3O3/c9-5-7(12)11-4-2-1-3-6(10)8(13)14/h5-6,9H,1-4,10H2,(H,11,12)(H,13,14)/b9-5+/t6-/m0/s1
InChIKeyTVDFECIIIPVZSP-HOITVRGQSA-N
MW201.23 g/mol
LogP-0.67
Rot. Bonds7

About (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid

(2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid (PubChem CID 175071330) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid
PubChem CID175071330
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid
SMILES[H]/N=C/C(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C8H15N3O3/c9-5-7(12)11-4-2-1-3-6(10)8(13)14/h5-6,9H,1-4,10H2,(H,11,12)(H,13,14)/b9-5+/t6-/m0/s1
InChIKeyTVDFECIIIPVZSP-HOITVRGQSA-N
XLogP-0.67
TPSA116.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid 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

(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid
CID 11641210
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
CID 102018934
(2S)-2-amino-5-(2-iminoethylamino)pentanoic acid
CID 87252221
20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
2-amino-6-(methylsulfanylcarbonylamino)hexanoic acid
CID 134355075
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
(2S)-2-amino-6-(8-aminooctanoylamino)hexanoic acid
CID 89408700

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid (CID 175071330) is (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid is [H]/N=C/C(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid?
The InChIKey is TVDFECIIIPVZSP-HOITVRGQSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-5-7(12)11-4-2-1-3-6(10)8(13)14/h5-6,9H,1-4,10H2,(H,11,12)(H,13,14)/b9-5+/t6-/m0/s1.
What are the key properties of (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid?
(2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid has a molecular weight of 201.23 g/mol, XLogP of -0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[(2-iminoacetyl)amino]hexanoic acid is sourced from PubChem (CID 175071330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).