(2S)-2-amino-5-methylsulfonylpent-4-enoic acid

C6H11NO4S — CID 174239098

IUPAC(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
SMILESCS(=O)(=O)C=CC[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO4S/c1-12(10,11)4-2-3-5(7)6(8)9/h2,4-5H,3,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyPLIYGGRLIHVCRN-YFKPBYRVSA-N
MW193.22 g/mol
LogP-0.65
Rot. Bonds4

About (2S)-2-amino-5-methylsulfonylpent-4-enoic acid

(2S)-2-amino-5-methylsulfonylpent-4-enoic acid (PubChem CID 174239098) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is (2S)-2-amino-5-methylsulfonylpent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
PubChem CID174239098
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
SMILESCS(=O)(=O)C=CC[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO4S/c1-12(10,11)4-2-3-5(7)6(8)9/h2,4-5H,3,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyPLIYGGRLIHVCRN-YFKPBYRVSA-N
XLogP-0.65
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
(Z,2S)-2-amino-5-iodopent-4-enoic acid
CID 92531833
(E,2S)-2-amino-6,6-dimethylhept-4-enoic acid
CID 58150151
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
CID 166997414
2-amino-3-methylsulfonylpropanoic acid;hydrochloride
CID 138111044
(E)-2,6-diamino-2-methylhept-3-enedioic acid
CID 22297949
(E)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid
CID 130144807
2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid
CID 123357592
2-aminobutanedioic acid;methanesulfonic acid
CID 87903305
[(3S)-3-amino-3-carboxypropylidene]-methyl-oxidophosphanium
CID 176891524
(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid
CID 87765062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-methylsulfonylpent-4-enoic acid?
The IUPAC name of (2S)-2-amino-5-methylsulfonylpent-4-enoic acid (CID 174239098) is (2S)-2-amino-5-methylsulfonylpent-4-enoic acid.
What is the SMILES notation for (2S)-2-amino-5-methylsulfonylpent-4-enoic acid?
The canonical SMILES for (2S)-2-amino-5-methylsulfonylpent-4-enoic acid is CS(=O)(=O)C=CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-methylsulfonylpent-4-enoic acid?
The InChIKey is PLIYGGRLIHVCRN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-12(10,11)4-2-3-5(7)6(8)9/h2,4-5H,3,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-methylsulfonylpent-4-enoic acid?
(2S)-2-amino-5-methylsulfonylpent-4-enoic acid has a molecular weight of 193.22 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-methylsulfonylpent-4-enoic acid is sourced from PubChem (CID 174239098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).