1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid

C12H22N2O3 — CID 62097169

IUPAC1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCN(CCN(C)C)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-4-7-14(9-8-13(2)3)10(15)12(5-6-12)11(16)17/h4-9H2,1-3H3,(H,16,17)
InChIKeyFNUTVYQGKUCQAE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.65
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid

1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62097169) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62097169
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCN(CCN(C)C)C(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-4-7-14(9-8-13(2)3)10(15)12(5-6-12)11(16)17/h4-9H2,1-3H3,(H,16,17)
InChIKeyFNUTVYQGKUCQAE-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[butyl(ethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097468
1-amino-N-[2-(dimethylamino)ethyl]-N-propylcyclobutane-1-carboxamide
CID 81169609
1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097273
1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096473
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096447
1-[ethyl(2-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79470788
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096795
N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-propylacetamide
CID 111538105
2-(1-aminocyclopentyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 64677838
1-[butan-2-yl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095052
1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 114991786
1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-propylcyclopropane-1-carboxamide
CID 80597605

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid (CID 62097169) is 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid is CCCN(CCN(C)C)C(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is FNUTVYQGKUCQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-7-14(9-8-13(2)3)10(15)12(5-6-12)11(16)17/h4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid?
1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62097169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).