1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid

C11H19NO4 — CID 166260242

IUPAC1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)CC1(C(=O)O)CC1)C(C)O
InChIInChI=1S/C11H19NO4/c1-3-8(7(2)13)12-9(14)6-11(4-5-11)10(15)16/h7-8,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyTYHWUMRHROWYBK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.52
Rot. Bonds6

About 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid

1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid (PubChem CID 166260242) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid
PubChem CID166260242
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)CC1(C(=O)O)CC1)C(C)O
InChIInChI=1S/C11H19NO4/c1-3-8(7(2)13)12-9(14)6-11(4-5-11)10(15)16/h7-8,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyTYHWUMRHROWYBK-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid (CID 166260242) is 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid is CCC(NC(=O)CC1(C(=O)O)CC1)C(C)O.
What is the InChIKey of 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid?
The InChIKey is TYHWUMRHROWYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-8(7(2)13)12-9(14)6-11(4-5-11)10(15)16/h7-8,13H,3-6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid?
1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166260242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).