1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid

C14H25NO2S — CID 79587823

IUPAC1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid
SMILESCC(C)SCCC1CCCC1(NC1CC1)C(=O)O
InChIInChI=1S/C14H25NO2S/c1-10(2)18-9-7-11-4-3-8-14(11,13(16)17)15-12-5-6-12/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyFDKYESJEHUDOGG-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.89
Rot. Bonds7

About 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid (PubChem CID 79587823) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid
PubChem CID79587823
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid
SMILESCC(C)SCCC1CCCC1(NC1CC1)C(=O)O
InChIInChI=1S/C14H25NO2S/c1-10(2)18-9-7-11-4-3-8-14(11,13(16)17)15-12-5-6-12/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyFDKYESJEHUDOGG-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 79581172
1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563971
1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587817
1-(cyclopropylamino)-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79577441
methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
CID 79588054
1-(methylamino)-2-[2-(2-methylpropylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79588230
methyl 1-(cyclopropylamino)-2-[2-(2,3-dihydroxypropylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79671934
methyl 1-(cyclopropylamino)-2-[2-(3-hydroxy-2-methylpropyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79555486
1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572258
2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79582214
1-(cyclopropylamino)-2-[2-(oxolan-3-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79587752
2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79556952

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid (CID 79587823) is 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid is CC(C)SCCC1CCCC1(NC1CC1)C(=O)O.
What is the InChIKey of 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid?
The InChIKey is FDKYESJEHUDOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-10(2)18-9-7-11-4-3-8-14(11,13(16)17)15-12-5-6-12/h10-12,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid has a molecular weight of 271.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79587823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).