(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid

C10H16N2O2S — CID 139509790

IUPAC(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid
SMILESNCCCC(c1cccs1)[C@H](N)C(=O)O
InChIInChI=1S/C10H16N2O2S/c11-5-1-3-7(9(12)10(13)14)8-4-2-6-15-8/h2,4,6-7,9H,1,3,5,11-12H2,(H,13,14)/t7?,9-/m0/s1
InChIKeyUMYNPHUXDCOEPS-NETXQHHPSA-N
MW228.32 g/mol
LogP0.98
Rot. Bonds6

About (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid

(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid (PubChem CID 139509790) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid
PubChem CID139509790
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid
SMILESNCCCC(c1cccs1)[C@H](N)C(=O)O
InChIInChI=1S/C10H16N2O2S/c11-5-1-3-7(9(12)10(13)14)8-4-2-6-15-8/h2,4,6-7,9H,1,3,5,11-12H2,(H,13,14)/t7?,9-/m0/s1
InChIKeyUMYNPHUXDCOEPS-NETXQHHPSA-N
XLogP0.98
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2,6-diamino-3-thiophen-2-ylhexanoic 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-3-thiophen-2-ylpentanedioic acid
CID 139509804
2-amino-3-thiophen-2-ylpentanedioic acid
CID 174368637
(2S)-2-amino-3-thiophen-2-ylbutanedioic acid
CID 146264588
(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
2-nitroso-2-thiophen-2-ylacetic acid
CID 54218516
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
5-chloro-2-thiophen-2-ylpentanoic acid
CID 11160300
5-amino-2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 104685412

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid?
The IUPAC name of (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid (CID 139509790) is (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid.
What is the SMILES notation for (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid?
The canonical SMILES for (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid is NCCCC(c1cccs1)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid?
The InChIKey is UMYNPHUXDCOEPS-NETXQHHPSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-5-1-3-7(9(12)10(13)14)8-4-2-6-15-8/h2,4,6-7,9H,1,3,5,11-12H2,(H,13,14)/t7?,9-/m0/s1.
What are the key properties of (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid?
(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid has a molecular weight of 228.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid is sourced from PubChem (CID 139509790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).