cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid

C14H23NO4 — CID 114092749

IUPACcis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)CCO1
InChIInChI=1S/C14H23NO4/c1-14(2)8-9(6-7-19-14)15-12(16)10-4-3-5-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9?,10-,11+/m1/s1
InChIKeyDAUIAPXWRHQHSY-ZOCYIJKUSA-N
MW269.34 g/mol
LogP1.56
Rot. Bonds3

About cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092749) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092749
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namecis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)CCO1
InChIInChI=1S/C14H23NO4/c1-14(2)8-9(6-7-19-14)15-12(16)10-4-3-5-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9?,10-,11+/m1/s1
InChIKeyDAUIAPXWRHQHSY-ZOCYIJKUSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114092749) is cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid is CC1(C)CC(NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)CCO1.
What is the InChIKey of cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is DAUIAPXWRHQHSY-ZOCYIJKUSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2)8-9(6-7-19-14)15-12(16)10-4-3-5-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9?,10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).