4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid

C10H18N2O4S — CID 61229307

IUPAC4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
SMILESCN(C(=O)NC(CCO)C(=O)O)C1CCSC1
InChIInChI=1S/C10H18N2O4S/c1-12(7-3-5-17-6-7)10(16)11-8(2-4-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyYZVWVDTXGYUOQD-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.03
Rot. Bonds5

About 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid

4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid (PubChem CID 61229307) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
PubChem CID61229307
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
SMILESCN(C(=O)NC(CCO)C(=O)O)C1CCSC1
InChIInChI=1S/C10H18N2O4S/c1-12(7-3-5-17-6-7)10(16)11-8(2-4-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyYZVWVDTXGYUOQD-UHFFFAOYSA-N
XLogP-0.03
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]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

5-amino-2-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61198358
3-cyclopropyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]propanoic acid
CID 112735091
2-[[methyl(thiolan-3-yl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61197223
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61408256
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826727
(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827539
(2S)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827541
(2R)-3,3-dimethyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 113353161
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 61228929
(2S)-3-(1H-imidazol-5-yl)-2-[[methyl(thiolan-3-yl)carbamoyl]amino]propanoic acid
CID 61197411
4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 55004627
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid (CID 61229307) is 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid is CN(C(=O)NC(CCO)C(=O)O)C1CCSC1.
What is the InChIKey of 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid?
The InChIKey is YZVWVDTXGYUOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-12(7-3-5-17-6-7)10(16)11-8(2-4-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid?
4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid has a molecular weight of 262.33 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61229307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).