4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid

C10H17N3O4S — CID 114156284

IUPAC4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
SMILESCSCCC(NC(=O)NC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-18-3-2-7(9(15)16)13-10(17)12-6-4-8(14)11-5-6/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyNIYROHZGYQYBMG-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.62
Rot. Bonds6

About 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid

4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid (PubChem CID 114156284) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
PubChem CID114156284
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
SMILESCSCCC(NC(=O)NC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-18-3-2-7(9(15)16)13-10(17)12-6-4-8(14)11-5-6/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyNIYROHZGYQYBMG-UHFFFAOYSA-N
XLogP-0.62
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic 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

(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156282
(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide
CID 106187684
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104910598
2-[(4-ethylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61468068
4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156262
(2R)-2-[(3-methoxycyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 114118286
5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106192144
(2S)-4-methylsulfanyl-2-(pentan-3-ylcarbamoylamino)butanoic acid
CID 61187767
2-[(2-methyloxolan-3-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 82728872
(2R)-2-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104910637
2-[[(1S)-1-carboxy-3-methylsulfanylpropyl]carbamoylamino]pentanedioic acid
CID 88542904

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid (CID 114156284) is 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid is CSCCC(NC(=O)NC1CNC(=O)C1)C(=O)O.
What is the InChIKey of 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid?
The InChIKey is NIYROHZGYQYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-18-3-2-7(9(15)16)13-10(17)12-6-4-8(14)11-5-6/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid?
4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid has a molecular weight of 275.33 g/mol, XLogP of -0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 114156284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).