5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid

C15H24N2O3S — CID 82847767

IUPAC5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-11(2)17(10-13-7-5-9-21-13)15(20)16-12(3)6-4-8-14(18)19/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyXAPCANFULRSNJN-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.31
Rot. Bonds8

About 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid

5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid (PubChem CID 82847767) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
PubChem CID82847767
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-11(2)17(10-13-7-5-9-21-13)15(20)16-12(3)6-4-8-14(18)19/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyXAPCANFULRSNJN-UHFFFAOYSA-N
XLogP3.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic 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

2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 54946897
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
3-[[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81067110
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
(2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 107838915
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842228
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292320

Frequently Asked Questions

What is the IUPAC name of 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid (CID 82847767) is 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N(Cc1cccs1)C(C)C.
What is the InChIKey of 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is XAPCANFULRSNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)17(10-13-7-5-9-21-13)15(20)16-12(3)6-4-8-14(18)19/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid?
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 312.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82847767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).