2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid

C11H19NO4 — CID 62523470

IUPAC2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC)(CO)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-3-11(4-2,6-13)12-9(14)7-5-8(7)10(15)16/h7-8,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyRBESKPLFDUWNOK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.37
Rot. Bonds6

About 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid

2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62523470) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62523470
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC)(CO)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-3-11(4-2,6-13)12-9(14)7-5-8(7)10(15)16/h7-8,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyRBESKPLFDUWNOK-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid (CID 62523470) is 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid is CCC(CC)(CO)NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is RBESKPLFDUWNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-11(4-2,6-13)12-9(14)7-5-8(7)10(15)16/h7-8,13H,3-6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pentan-3-ylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62523470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).