(2S)-2-(ethenylamino)-3-sulfanylpropanoic acid

C5H9NO2S — CID 87115082

IUPAC(2S)-2-(ethenylamino)-3-sulfanylpropanoic acid
SMILESC=CN[C@H](CS)C(=O)O
InChIInChI=1S/C5H9NO2S/c1-2-6-4(3-9)5(7)8/h2,4,6,9H,1,3H2,(H,7,8)/t4-/m1/s1
InChIKeyDWELBPARRXWDHE-SCSAIBSYSA-N
MW147.20 g/mol
LogP0.10
Rot. Bonds4

About (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid

(2S)-2-(ethenylamino)-3-sulfanylpropanoic acid (PubChem CID 87115082) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethenylamino)-3-sulfanylpropanoic acid
PubChem CID87115082
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(2S)-2-(ethenylamino)-3-sulfanylpropanoic acid
SMILESC=CN[C@H](CS)C(=O)O
InChIInChI=1S/C5H9NO2S/c1-2-6-4(3-9)5(7)8/h2,4,6,9H,1,3H2,(H,7,8)/t4-/m1/s1
InChIKeyDWELBPARRXWDHE-SCSAIBSYSA-N
XLogP0.10
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(Z)-2-aminoethenyl]amino]-3-sulfanylpropanoic acid
CID 149433548
(2S)-2-(prop-2-enylamino)-3-sulfanylpropanoic acid
CID 87666603
(2R)-2-(silylamino)-3-sulfanylpropanoic acid
CID 175735722
(2R)-2-(oxaldehydoylamino)-3-sulfanylpropanoic acid
CID 140823878
(2S)-5-amino-2-(ethenylamino)pentanoic acid
CID 172797723
(2S)-2-(ethenylamino)-4-methylsulfanylbutanoic acid
CID 130301190
(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-[(1-amino-2-oxo-2-prop-2-enoxyethyl)amino]-3-sulfanylpropanoic acid
CID 174837423
(2R)-2-(boronoamino)-3-sulfanylpropanoic acid
CID 140750018
2-[[(1-carboxy-2-sulfanylethyl)amino]methyl]propanedioic acid
CID 87237898

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid (CID 87115082) is (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid is C=CN[C@H](CS)C(=O)O.
What is the InChIKey of (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid?
The InChIKey is DWELBPARRXWDHE-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-2-6-4(3-9)5(7)8/h2,4,6,9H,1,3H2,(H,7,8)/t4-/m1/s1.
What are the key properties of (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid?
(2S)-2-(ethenylamino)-3-sulfanylpropanoic acid has a molecular weight of 147.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethenylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 87115082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).