methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate

C14H25NO2 — CID 103254073

IUPACmethyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
SMILESCCC1CCC(NC(C(=O)OC)C2CC2)C1C
InChIInChI=1S/C14H25NO2/c1-4-10-7-8-12(9(10)2)15-13(11-5-6-11)14(16)17-3/h9-13,15H,4-8H2,1-3H3
InChIKeyCALSBRSMALEFIY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds5

About methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate

methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate (PubChem CID 103254073) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
PubChem CID103254073
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
SMILESCCC1CCC(NC(C(=O)OC)C2CC2)C1C
InChIInChI=1S/C14H25NO2/c1-4-10-7-8-12(9(10)2)15-13(11-5-6-11)14(16)17-3/h9-13,15H,4-8H2,1-3H3
InChIKeyCALSBRSMALEFIY-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(cyclopentylamino)-3-methylpentanoate
CID 43732306
Methyl(2r)-(cyclopentylamino)(cyclopropyl)acetate
CID 58009755
methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate
CID 59033006
methyl (2S)-2-[(1-deuteriocyclopentyl)amino]-4-methylpentanoate
CID 169101419
methyl (2S)-3-cyclopropyl-2-(methylamino)butanoate
CID 172358703
methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate
CID 11275909
Methyl 2-(heptan-2-ylamino)-4-methylpentanoate
CID 43688882
Methyl 4-methyl-2-(octylamino)pentanoate
CID 43688920
Methyl 2-(cyclopentylamino)-4-methylpentanoate
CID 43688942
Methyl 2-(heptylamino)-4-methylpentanoate
CID 43689011
Methyl 4-methyl-2-(octan-2-ylamino)pentanoate
CID 43689012
Methyl 4-methyl-2-(5-methylheptan-3-ylamino)pentanoate
CID 43689015

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate (CID 103254073) is methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate is CCC1CCC(NC(C(=O)OC)C2CC2)C1C.
What is the InChIKey of methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate?
The InChIKey is CALSBRSMALEFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-10-7-8-12(9(10)2)15-13(11-5-6-11)14(16)17-3/h9-13,15H,4-8H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate?
methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate has a molecular weight of 239.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[(3-ethyl-2-methylcyclopentyl)amino]acetate is sourced from PubChem (CID 103254073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).