2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid

C15H22N2O3S — CID 61475485

IUPAC2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(Cc1ccsc1)NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H22N2O3S/c1-11(8-12-6-7-21-10-12)16-15(20)17(9-14(18)19)13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyWTAFZFMBLJLESM-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.72
Rot. Bonds6

About 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid

2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 61475485) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid
PubChem CID61475485
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(Cc1ccsc1)NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H22N2O3S/c1-11(8-12-6-7-21-10-12)16-15(20)17(9-14(18)19)13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyWTAFZFMBLJLESM-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816725
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787638
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787637
1-[(3R)-3-hydroxybutyl]-1-methyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 97324984
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 61465951
N-(1-thiophen-3-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954195
2-(1-thiophen-3-ylpropan-2-ylamino)cyclopentan-1-ol
CID 61473631
3,3-dimethyl-5-oxo-5-(1-thiophen-3-ylpropan-2-ylamino)pentanoic acid
CID 62934254
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid (CID 61475485) is 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid is CC(Cc1ccsc1)NC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is WTAFZFMBLJLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(8-12-6-7-21-10-12)16-15(20)17(9-14(18)19)13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61475485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).