1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid

C10H19NO3S — CID 107771721

IUPAC1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid
SMILESCC(O)C(C)SC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H19NO3S/c1-6(12)7(2)15-8-3-4-10(11,5-8)9(13)14/h6-8,12H,3-5,11H2,1-2H3,(H,13,14)
InChIKeyBFOKRBTWUKHNOZ-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.82
Rot. Bonds4

About 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid

1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid (PubChem CID 107771721) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid
PubChem CID107771721
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid
SMILESCC(O)C(C)SC1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H19NO3S/c1-6(12)7(2)15-8-3-4-10(11,5-8)9(13)14/h6-8,12H,3-5,11H2,1-2H3,(H,13,14)
InChIKeyBFOKRBTWUKHNOZ-UHFFFAOYSA-N
XLogP0.82
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid (CID 107771721) is 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid is CC(O)C(C)SC1CCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid?
The InChIKey is BFOKRBTWUKHNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-6(12)7(2)15-8-3-4-10(11,5-8)9(13)14/h6-8,12H,3-5,11H2,1-2H3,(H,13,14).
What are the key properties of 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid?
1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid has a molecular weight of 233.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107771721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).