4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid

C11H20N2O3S — CID 103063967

IUPAC4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)NC1CCSC1
InChIInChI=1S/C11H20N2O3S/c1-11(2,5-3-9(14)15)13-10(16)12-8-4-6-17-7-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyPWBXIVVTVFMKRT-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.43
Rot. Bonds5

About 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid

4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid (PubChem CID 103063967) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid
PubChem CID103063967
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)NC1CCSC1
InChIInChI=1S/C11H20N2O3S/c1-11(2,5-3-9(14)15)13-10(16)12-8-4-6-17-7-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyPWBXIVVTVFMKRT-UHFFFAOYSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic 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

4-Methyl-4-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]pentanoic acid
CID 114188117
2-[3-(Carbamoylamino)thiolan-2-yl]pentanoic acid
CID 139920777
4-[[(2R)-1-methylsulfanylpropan-2-yl]carbamoylamino]butanoic acid
CID 156102571
4-[(3-Methyl-1,1-dioxothiolan-3-yl)carbamoylamino]butanoic acid
CID 5182633
2-[(1,1-Dioxothiolan-3-yl)carbamoylamino]-2-methylpentanoic acid
CID 61181663
(2S)-3-methyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]pentanoic acid
CID 61197042
4-Methyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]pentanoic acid
CID 61197409
3-Methyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]pentanoic acid
CID 61197793
(2S,3S)-3-methyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]pentanoic acid
CID 61199307
4-[[Methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 61199491
(2S)-4-methyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]pentanoic acid
CID 61199497
6-[[Methyl(thiolan-3-yl)carbamoyl]amino]hexanoic acid
CID 61199680

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid (CID 103063967) is 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid is CC(C)(CCC(=O)O)NC(=O)NC1CCSC1.
What is the InChIKey of 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid?
The InChIKey is PWBXIVVTVFMKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-11(2,5-3-9(14)15)13-10(16)12-8-4-6-17-7-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid?
4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid has a molecular weight of 260.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(thiolan-3-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 103063967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).