(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid

C8H15NO2S — CID 134989261

IUPAC(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid
SMILESC=CC[C@@](N)(CCSC)C(=O)O
InChIInChI=1S/C8H15NO2S/c1-3-4-8(9,7(10)11)5-6-12-2/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m1/s1
InChIKeyNTWXROOSULBQBI-MRVPVSSYSA-N
MW189.28 g/mol
LogP1.10
Rot. Bonds6

About (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid

(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid (PubChem CID 134989261) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid
PubChem CID134989261
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid
SMILESC=CC[C@@](N)(CCSC)C(=O)O
InChIInChI=1S/C8H15NO2S/c1-3-4-8(9,7(10)11)5-6-12-2/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m1/s1
InChIKeyNTWXROOSULBQBI-MRVPVSSYSA-N
XLogP1.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-propylpent-4-enoic acid
CID 102284688
2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid
CID 88769968
(2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid
CID 54588730
(2S)-2-amino-2-hydroxy-4-methylsulfanylbutanoic acid
CID 45082567
(2S)-2-amino-2-fluoro-4-methylsulfanylbutanoic acid
CID 174641982
2-formyl-4-methylsulfanyl-2-(prop-2-enylamino)butanoic acid
CID 140671808
2-amino-2-pent-4-enylhept-6-enoic acid
CID 87318887
2-amino-2-formyl-4-methylsulfanylbutanamide
CID 57101655
(1-amino-1-carboxybut-3-enyl)-trimethylazanium
CID 87196062
2-carboxypent-4-en-2-yl-ethyl-dimethylazanium
CID 87400089
2-amino-2-ethylbutanoic acid;but-3-enoic acid
CID 87783840
(2S,6S)-2,6-diamino-4-methylidene-2-prop-2-enylheptanedioic acid
CID 101237530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid?
The IUPAC name of (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid (CID 134989261) is (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid?
The canonical SMILES for (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid is C=CC[C@@](N)(CCSC)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid?
The InChIKey is NTWXROOSULBQBI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-4-8(9,7(10)11)5-6-12-2/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid?
(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid has a molecular weight of 189.28 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid is sourced from PubChem (CID 134989261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).