(1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C14H21NO4 — CID 93365688

IUPAC(1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@H]1CC=CC[C@H]1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H21NO4/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(18)19/h1-2,9-12,16H,3-8H2,(H,15,17)(H,18,19)/t9?,10?,11-,12+/m1/s1
InChIKeyREMOUKHVBMQNHG-HCWSGVFWSA-N
MW267.32 g/mol
LogP1.07
Rot. Bonds3

About (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

(1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 93365688) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID93365688
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@H]1CC=CC[C@H]1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H21NO4/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(18)19/h1-2,9-12,16H,3-8H2,(H,15,17)(H,18,19)/t9?,10?,11-,12+/m1/s1
InChIKeyREMOUKHVBMQNHG-HCWSGVFWSA-N
XLogP1.07
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 93365688) is (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is O=C(O)[C@H]1CC=CC[C@H]1C(=O)NC1CCC(O)CC1.
What is the InChIKey of (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is REMOUKHVBMQNHG-HCWSGVFWSA-N. The full InChI is InChI=1S/C14H21NO4/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(18)19/h1-2,9-12,16H,3-8H2,(H,15,17)(H,18,19)/t9?,10?,11-,12+/m1/s1.
What are the key properties of (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
(1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-[(4-hydroxycyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 93365688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).