2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H17NO4 — CID 60934513

IUPAC2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H17NO4/c13-7-3-1-6(2-4-7)12-10(14)8-5-9(8)11(15)16/h6-9,13H,1-5H2,(H,12,14)(H,15,16)
InChIKeyFAWNLOWTLDZIPR-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.13
Rot. Bonds3

About 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60934513) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60934513
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H17NO4/c13-7-3-1-6(2-4-7)12-10(14)8-5-9(8)11(15)16/h6-9,13H,1-5H2,(H,12,14)(H,15,16)
InChIKeyFAWNLOWTLDZIPR-UHFFFAOYSA-N
XLogP0.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60934513) is 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is FAWNLOWTLDZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-7-3-1-6(2-4-7)12-10(14)8-5-9(8)11(15)16/h6-9,13H,1-5H2,(H,12,14)(H,15,16).
What are the key properties of 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60934513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).