1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C12H21NO4 — CID 102694595

IUPAC1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOC(C)CNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO4/c1-9(17-2)8-13-10(14)7-12(11(15)16)5-3-4-6-12/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGXTWXHZTHGXAEV-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds6

About 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 102694595) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID102694595
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOC(C)CNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO4/c1-9(17-2)8-13-10(14)7-12(11(15)16)5-3-4-6-12/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGXTWXHZTHGXAEV-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113477001
1-[2-(2-hydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 54868105
1-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 107214925
1-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54913080
1-[2-oxo-2-(2-propan-2-yloxyethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 113449940
1-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 66178021
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-[2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107151197
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-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 104623085
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 102694595) is 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is COC(C)CNC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is GXTWXHZTHGXAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(17-2)8-13-10(14)7-12(11(15)16)5-3-4-6-12/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 102694595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).