(2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid

C10H19N3O4S — CID 170769818

IUPAC(2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid
SMILES[H]N=S(=O)(CC[C@H](N)C(=O)O)CCN1CCCC1=O
InChIInChI=1S/C10H19N3O4S/c11-8(10(15)16)3-6-18(12,17)7-5-13-4-1-2-9(13)14/h8,12H,1-7,11H2,(H,15,16)/t8-,18?/m0/s1
InChIKeyXFVUWHOAHGCTOY-RFXRWSEHSA-N
MW277.35 g/mol
LogP-0.54
Rot. Bonds7

About (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid

(2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid (PubChem CID 170769818) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid
PubChem CID170769818
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name(2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid
SMILES[H]N=S(=O)(CC[C@H](N)C(=O)O)CCN1CCCC1=O
InChIInChI=1S/C10H19N3O4S/c11-8(10(15)16)3-6-18(12,17)7-5-13-4-1-2-9(13)14/h8,12H,1-7,11H2,(H,15,16)/t8-,18?/m0/s1
InChIKeyXFVUWHOAHGCTOY-RFXRWSEHSA-N
XLogP-0.54
TPSA124.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid (CID 170769818) is (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid is [H]N=S(=O)(CC[C@H](N)C(=O)O)CCN1CCCC1=O.
What is the InChIKey of (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid?
The InChIKey is XFVUWHOAHGCTOY-RFXRWSEHSA-N. The full InChI is InChI=1S/C10H19N3O4S/c11-8(10(15)16)3-6-18(12,17)7-5-13-4-1-2-9(13)14/h8,12H,1-7,11H2,(H,15,16)/t8-,18?/m0/s1.
What are the key properties of (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid?
(2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid has a molecular weight of 277.35 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[2-(2-oxopyrrolidin-1-yl)ethylsulfonimidoyl]butanoic acid is sourced from PubChem (CID 170769818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).