1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid

C12H21NO3 — CID 79581172

IUPAC1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid
SMILESCOCCC1CCCC1(NC1CC1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-16-8-6-9-3-2-7-12(9,11(14)15)13-10-4-5-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyDTXDYAHLEWVCNB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.40
Rot. Bonds6

About 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid (PubChem CID 79581172) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid
PubChem CID79581172
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid
SMILESCOCCC1CCCC1(NC1CC1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-16-8-6-9-3-2-7-12(9,11(14)15)13-10-4-5-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyDTXDYAHLEWVCNB-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
1-(cyclopropylamino)-2-[2-(oxolan-3-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79587752
1-(cyclopropylamino)-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79577441
1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79587823
1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563971
1-(cyclopropylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79565485
methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
CID 79588054
2-(2-cyclobutyloxyethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79587218
1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79586535
1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572258
1-(cyclopropylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571759
1-(ethylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79563619

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid (CID 79581172) is 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid is COCCC1CCCC1(NC1CC1)C(=O)O.
What is the InChIKey of 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid?
The InChIKey is DTXDYAHLEWVCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-8-6-9-3-2-7-12(9,11(14)15)13-10-4-5-10/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79581172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).