1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H21NO5 — CID 62096795

IUPAC1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOCCCN(CCOC)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H21NO5/c1-17-8-3-6-13(7-9-18-2)10(14)12(4-5-12)11(15)16/h3-9H2,1-2H3,(H,15,16)
InChIKeyLZMIIXQYUNLVCS-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.36
Rot. Bonds9

About 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62096795) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62096795
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOCCCN(CCOC)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H21NO5/c1-17-8-3-6-13(7-9-18-2)10(14)12(4-5-12)11(15)16/h3-9H2,1-2H3,(H,15,16)
InChIKeyLZMIIXQYUNLVCS-UHFFFAOYSA-N
XLogP0.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 63286611
1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62985662
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxane-4-carboxamide
CID 115294429
1-[butyl(ethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097468
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147332
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80588345
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842452
2-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
1-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921125
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 113312882
1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097169

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62096795) is 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid is COCCCN(CCOC)C(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LZMIIXQYUNLVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-17-8-3-6-13(7-9-18-2)10(14)12(4-5-12)11(15)16/h3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 0.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).