methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate

C15H28N2O2 — CID 63055166

IUPACmethyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate
SMILESCNC(CCN1CCCC1C1CCCC1)C(=O)OC
InChIInChI=1S/C15H28N2O2/c1-16-13(15(18)19-2)9-11-17-10-5-8-14(17)12-6-3-4-7-12/h12-14,16H,3-11H2,1-2H3
InChIKeyGHKHCUZTLZYBGD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate

methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate (PubChem CID 63055166) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate
PubChem CID63055166
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate
SMILESCNC(CCN1CCCC1C1CCCC1)C(=O)OC
InChIInChI=1S/C15H28N2O2/c1-16-13(15(18)19-2)9-11-17-10-5-8-14(17)12-6-3-4-7-12/h12-14,16H,3-11H2,1-2H3
InChIKeyGHKHCUZTLZYBGD-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide
CID 63053002
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propan-2-ylamino)butanoate
CID 65324968
methyl 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(propylamino)butanoate
CID 63054403
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propylamino)butanoate
CID 65324539
methyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylpropanoate
CID 65320590
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol
CID 102728915
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(methylamino)butanamide
CID 63053086
methyl 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-methylpentanoate
CID 102728042
5-(2-cyclopentylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 55073555
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
CID 103152610
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanoate
CID 65319761

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate (CID 63055166) is methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate is CNC(CCN1CCCC1C1CCCC1)C(=O)OC.
What is the InChIKey of methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate?
The InChIKey is GHKHCUZTLZYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-13(15(18)19-2)9-11-17-10-5-8-14(17)12-6-3-4-7-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate?
methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate is sourced from PubChem (CID 63055166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).