cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

C13H23NO4 — CID 106167862

IUPACcis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)(CCO)NC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23NO4/c1-3-13(2,7-8-15)14-11(16)9-5-4-6-10(9)12(17)18/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)/t9-,10+,13?/m1/s1
InChIKeyLIOOQAHNJZDQQY-GDVCOKDOSA-N
MW257.33 g/mol
LogP1.15
Rot. Bonds6

About cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106167862) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106167862
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namecis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)(CCO)NC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23NO4/c1-3-13(2,7-8-15)14-11(16)9-5-4-6-10(9)12(17)18/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)/t9-,10+,13?/m1/s1
InChIKeyLIOOQAHNJZDQQY-GDVCOKDOSA-N
XLogP1.15
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 106167862) is cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is CCC(C)(CCO)NC(=O)[C@@H]1CCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LIOOQAHNJZDQQY-GDVCOKDOSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-13(2,7-8-15)14-11(16)9-5-4-6-10(9)12(17)18/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)/t9-,10+,13?/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106167862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).