1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid

C13H23NO4 — CID 54868105

IUPAC1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC(O)CNC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H23NO4/c1-10(15)9-14-11(16)8-13(12(17)18)6-4-2-3-5-7-13/h10,15H,2-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyWOIJVFZPTMYWIP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.30
Rot. Bonds5

About 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 54868105) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID54868105
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC(O)CNC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H23NO4/c1-10(15)9-14-11(16)8-13(12(17)18)6-4-2-3-5-7-13/h10,15H,2-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyWOIJVFZPTMYWIP-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-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

Related Compounds

1-[2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107151197
1-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54913080
1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 102694595
1-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 66178021
1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113477001
1-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 107214925
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
N-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 54868105) is 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid is CC(O)CNC(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is WOIJVFZPTMYWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(15)9-14-11(16)8-13(12(17)18)6-4-2-3-5-7-13/h10,15H,2-9H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 54868105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).