1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C15H20N2O3S — CID 61449689

IUPAC1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H20N2O3S/c18-13(19)15(7-1-2-8-15)16-14(20)17(11-5-6-11)10-12-4-3-9-21-12/h3-4,9,11H,1-2,5-8,10H2,(H,16,20)(H,18,19)
InChIKeyLVHFLKJNDBMOMZ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.82
Rot. Bonds5

About 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 61449689) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID61449689
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H20N2O3S/c18-13(19)15(7-1-2-8-15)16-14(20)17(11-5-6-11)10-12-4-3-9-21-12/h3-4,9,11H,1-2,5-8,10H2,(H,16,20)(H,18,19)
InChIKeyLVHFLKJNDBMOMZ-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54870594
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
1-(2-thiophen-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61191882
1-cyclopropyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 97235728
4-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292955
1-(thiophen-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163003
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
1-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 80599455
2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61452408

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 61449689) is 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)N(Cc1cccs1)C1CC1.
What is the InChIKey of 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LVHFLKJNDBMOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-13(19)15(7-1-2-8-15)16-14(20)17(11-5-6-11)10-12-4-3-9-21-12/h3-4,9,11H,1-2,5-8,10H2,(H,16,20)(H,18,19).
What are the key properties of 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61449689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).