1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid

C16H30N2O2 — CID 79563971

IUPAC1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCN(CCC1CCCC1(NC1CC1)C(=O)O)C(C)C
InChIInChI=1S/C16H30N2O2/c1-4-18(12(2)3)11-9-13-6-5-10-16(13,15(19)20)17-14-7-8-14/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyCEJZKMPRPZROJD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds8

About 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79563971) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID79563971
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCN(CCC1CCCC1(NC1CC1)C(=O)O)C(C)C
InChIInChI=1S/C16H30N2O2/c1-4-18(12(2)3)11-9-13-6-5-10-16(13,15(19)20)17-14-7-8-14/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyCEJZKMPRPZROJD-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 79577441
1-(methylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 79564430
1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79587823
1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 79581172
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577889
ethyl 1-(cyclopropylamino)-2-[2-(diethylamino)ethyl]cyclopentane-1-carboxylate
CID 79576054
1-(cyclopropylamino)-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxamide
CID 79577589
1-(cyclopropylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79565485
1-(cyclopropylamino)-2-[2-(oxolan-3-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79587752
[1-(cyclopropylamino)-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 82944341
2-[2-[methyl(3-methylbutan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79566081
1-(cyclopropylamino)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572258

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid (CID 79563971) is 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid is CCN(CCC1CCCC1(NC1CC1)C(=O)O)C(C)C.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is CEJZKMPRPZROJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-18(12(2)3)11-9-13-6-5-10-16(13,15(19)20)17-14-7-8-14/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79563971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).