5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid

C17H24N2O3S — CID 122012389

IUPAC5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCC1CCSC1
InChIInChI=1S/C17H24N2O3S/c20-16(21)7-6-15(10-13-4-2-1-3-5-13)19-17(22)18-11-14-8-9-23-12-14/h1-5,14-15H,6-12H2,(H,20,21)(H2,18,19,22)
InChIKeyAHGIIEDWXONIEG-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.51
Rot. Bonds8

About 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid

5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 122012389) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
PubChem CID122012389
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCC1CCSC1
InChIInChI=1S/C17H24N2O3S/c20-16(21)7-6-15(10-13-4-2-1-3-5-13)19-17(22)18-11-14-8-9-23-12-14/h1-5,14-15H,6-12H2,(H,20,21)(H2,18,19,22)
InChIKeyAHGIIEDWXONIEG-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)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-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122001047
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
(2S)-2-phenyl-2-(thiolan-3-ylmethylcarbamoylamino)acetic acid
CID 107297590
4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122006538
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
4-[(4-methylthiolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122014034
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-methyl-5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297551
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122013689

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid (CID 122012389) is 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NCC1CCSC1.
What is the InChIKey of 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is AHGIIEDWXONIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-16(21)7-6-15(10-13-4-2-1-3-5-13)19-17(22)18-11-14-8-9-23-12-14/h1-5,14-15H,6-12H2,(H,20,21)(H2,18,19,22).
What are the key properties of 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid?
5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 336.46 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 122012389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).