2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid

C12H19NO4 — CID 62552171

IUPAC2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H19NO4/c14-7-12(4-2-1-3-5-12)13-10(15)8-6-9(8)11(16)17/h8-9,14H,1-7H2,(H,13,15)(H,16,17)
InChIKeySZQGRQGJCUJPPC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.52
Rot. Bonds4

About 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62552171) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62552171
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C12H19NO4/c14-7-12(4-2-1-3-5-12)13-10(15)8-6-9(8)11(16)17/h8-9,14H,1-7H2,(H,13,15)(H,16,17)
InChIKeySZQGRQGJCUJPPC-UHFFFAOYSA-N
XLogP0.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 62552171) is 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is SZQGRQGJCUJPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-7-12(4-2-1-3-5-12)13-10(15)8-6-9(8)11(16)17/h8-9,14H,1-7H2,(H,13,15)(H,16,17).
What are the key properties of 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62552171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).