1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid

C10H19NO2S — CID 79654513

IUPAC1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid
SMILESCC(C)CSC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H19NO2S/c1-7(2)6-14-8-3-4-10(11,5-8)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyGXDHIHKHCQZQJT-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.71
Rot. Bonds4

About 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid

1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid (PubChem CID 79654513) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid
PubChem CID79654513
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid
SMILESCC(C)CSC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H19NO2S/c1-7(2)6-14-8-3-4-10(11,5-8)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyGXDHIHKHCQZQJT-UHFFFAOYSA-N
XLogP1.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 107771721
1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide
CID 107756277
methyl 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate
CID 107756279
1-amino-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxylic acid
CID 79650269
1-amino-3-(4-hydroxybutan-2-ylsulfanyl)cyclohexane-1-carboxylic acid
CID 79635794
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79656085
1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid
CID 79649444
1-amino-3-(4-methylphenyl)sulfanylcyclopentane-1-carboxylic acid
CID 79654079
ethyl 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carboxylate
CID 79638188
1-amino-3-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 79654426
1-(methylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid
CID 107756199
1-amino-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylcyclohexane-1-carboxamide
CID 114234462

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid (CID 79654513) is 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid is CC(C)CSC1CCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid?
The InChIKey is GXDHIHKHCQZQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7(2)6-14-8-3-4-10(11,5-8)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid?
1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid has a molecular weight of 217.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79654513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).