(2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid

C5H10N2O2S — CID 149433548

IUPAC(2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid
SMILESN/C=C\N[C@H](CS)C(=O)O
InChIInChI=1S/C5H10N2O2S/c6-1-2-7-4(3-10)5(8)9/h1-2,4,7,10H,3,6H2,(H,8,9)/b2-1-/t4-/m1/s1
InChIKeyNFRUXKJKJOUVRZ-HYLWAGPFSA-N
MW162.21 g/mol
LogP-0.61
Rot. Bonds4

About (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid

(2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid (PubChem CID 149433548) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid
PubChem CID149433548
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name(2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid
SMILESN/C=C\N[C@H](CS)C(=O)O
InChIInChI=1S/C5H10N2O2S/c6-1-2-7-4(3-10)5(8)9/h1-2,4,7,10H,3,6H2,(H,8,9)/b2-1-/t4-/m1/s1
InChIKeyNFRUXKJKJOUVRZ-HYLWAGPFSA-N
XLogP-0.61
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic 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-(ethenylamino)-3-sulfanylpropanoic acid
CID 87115082
(2R)-2-(oxaldehydoylamino)-3-sulfanylpropanoic acid
CID 140823878
(2R)-2-(silylamino)-3-sulfanylpropanoic acid
CID 175735722
(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
CID 142742192
2-(but-2-enoylamino)-3-sulfanylpropanoic acid
CID 175605206
(2R)-2-[[[(1R)-1-carboxy-2-sulfanylethyl]amino]oxyamino]-3-sulfanylpropanoic acid
CID 166514845
2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid
CID 22342009
(2R)-2-[2-(diaminomethylideneamino)ethylamino]-3-sulfanylpropanoic acid
CID 87452951
(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid
CID 23618356
(2S)-2-(prop-2-enylamino)-3-sulfanylpropanoic acid
CID 87666603
(2R)-2-(boronoamino)-3-sulfanylpropanoic acid
CID 140750018
(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid
CID 21157216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid?
The IUPAC name of (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid (CID 149433548) is (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid?
The canonical SMILES for (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid is N/C=C\N[C@H](CS)C(=O)O.
What is the InChIKey of (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid?
The InChIKey is NFRUXKJKJOUVRZ-HYLWAGPFSA-N. The full InChI is InChI=1S/C5H10N2O2S/c6-1-2-7-4(3-10)5(8)9/h1-2,4,7,10H,3,6H2,(H,8,9)/b2-1-/t4-/m1/s1.
What are the key properties of (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid?
(2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid has a molecular weight of 162.21 g/mol, XLogP of -0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 149433548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).