(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid

C9H19N3O3S — CID 51356146

IUPAC(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
SMILESN[C@H](CS)C(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C9H19N3O3S/c10-6(9(14)15)3-1-2-4-12-8(13)7(11)5-16/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15)/t6-,7+/m0/s1
InChIKeyZPLTXTROMWYDIX-NKWVEPMBSA-N
MW249.34 g/mol
LogP-1.06
Rot. Bonds8

About (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid

(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid (PubChem CID 51356146) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
PubChem CID51356146
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
SMILESN[C@H](CS)C(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C9H19N3O3S/c10-6(9(14)15)3-1-2-4-12-8(13)7(11)5-16/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15)/t6-,7+/m0/s1
InChIKeyZPLTXTROMWYDIX-NKWVEPMBSA-N
XLogP-1.06
TPSA118.44 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]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-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid
CID 174585198
16-[(2-amino-3-sulfanylpropanoyl)amino]hexadecanoic acid
CID 53362588
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
CID 175962096
(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
2-amino-6-(methylsulfanylcarbonylamino)hexanoic acid
CID 134355075
3,5-diamino-6-[[(5S)-5-amino-5-carboxypentyl]amino]-4,6-dioxohexanoic acid
CID 175605843
(2S)-2-amino-6-[[(2S,9S)-2,9,13-triamino-8-oxotridecanoyl]amino]hexanoic acid
CID 58195957
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid (CID 51356146) is (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid is N[C@H](CS)C(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid?
The InChIKey is ZPLTXTROMWYDIX-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H19N3O3S/c10-6(9(14)15)3-1-2-4-12-8(13)7(11)5-16/h6-7,16H,1-5,10-11H2,(H,12,13)(H,14,15)/t6-,7+/m0/s1.
What are the key properties of (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid?
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid has a molecular weight of 249.34 g/mol, XLogP of -1.06, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid is sourced from PubChem (CID 51356146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).