(2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid

C10H15N3O2S — CID 54512826

IUPAC(2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid
SMILESC/N=N/[C@@H](CCCNc1cccs1)C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-11-13-8(10(14)15)4-2-6-12-9-5-3-7-16-9/h3,5,7-8,12H,2,4,6H2,1H3,(H,14,15)/b13-11+/t8-/m0/s1
InChIKeyYKIMXMGRWBGPNH-LVBPULCISA-N
MW241.32 g/mol
LogP2.48
Rot. Bonds7

About (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid

(2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid (PubChem CID 54512826) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid
PubChem CID54512826
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid
SMILESC/N=N/[C@@H](CCCNc1cccs1)C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-11-13-8(10(14)15)4-2-6-12-9-5-3-7-16-9/h3,5,7-8,12H,2,4,6H2,1H3,(H,14,15)/b13-11+/t8-/m0/s1
InChIKeyYKIMXMGRWBGPNH-LVBPULCISA-N
XLogP2.48
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic 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

2-methyl-4-(thiophen-2-ylamino)butanoic acid
CID 115220490
N-propylthiophen-2-amine;hydrochloride
CID 22714339
N-(2-phenylethyl)thiophen-2-amine
CID 68833245
thiophen-2-ylcarbamic acid
CID 19432670
tert-butyl 2-(thiophen-2-ylamino)acetate
CID 57324703
N-(4-piperazin-1-ylbutyl)thiophen-2-amine
CID 115240320
2-(thiophene-2-carbonyl)hexanoic acid
CID 69343472
2-chloro-N-thiophen-2-ylacetamide
CID 21274756
2-methyl-5-(1-thiophen-2-ylethylcarbamoylamino)pentanoic acid
CID 104686244
2-nitroso-2-thiophen-2-ylacetic acid
CID 54218516
1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
CID 108889188
tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
CID 90458389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid?
The IUPAC name of (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid (CID 54512826) is (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid is C/N=N/[C@@H](CCCNc1cccs1)C(=O)O.
What is the InChIKey of (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid?
The InChIKey is YKIMXMGRWBGPNH-LVBPULCISA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-11-13-8(10(14)15)4-2-6-12-9-5-3-7-16-9/h3,5,7-8,12H,2,4,6H2,1H3,(H,14,15)/b13-11+/t8-/m0/s1.
What are the key properties of (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid?
(2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid has a molecular weight of 241.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methyldiazenyl)-5-(thiophen-2-ylamino)pentanoic acid is sourced from PubChem (CID 54512826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).