1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C12H21NO4 — CID 43396500

IUPAC1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOCCCNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO4/c1-17-8-4-7-13-10(14)9-12(11(15)16)5-2-3-6-12/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyNSUWEGOAOCJCMI-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds7

About 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43396500) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43396500
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCOCCCNC(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H21NO4/c1-17-8-4-7-13-10(14)9-12(11(15)16)5-2-3-6-12/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeyNSUWEGOAOCJCMI-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43396500) is 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is COCCCNC(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is NSUWEGOAOCJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-17-8-4-7-13-10(14)9-12(11(15)16)5-2-3-6-12/h2-9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43396500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).