methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate

C14H26N2O2 — CID 63911302

IUPACmethyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
SMILESCCN(CC(N)(C(=O)OC)C1CC1)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-3-16(12-6-4-5-7-12)10-14(15,11-8-9-11)13(17)18-2/h11-12H,3-10,15H2,1-2H3
InChIKeyORVPYCJEYJRGFN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds6

About methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate

methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate (PubChem CID 63911302) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
PubChem CID63911302
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
SMILESCCN(CC(N)(C(=O)OC)C1CC1)C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-3-16(12-6-4-5-7-12)10-14(15,11-8-9-11)13(17)18-2/h11-12H,3-10,15H2,1-2H3
InChIKeyORVPYCJEYJRGFN-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666
2-amino-2-cyclopropyl-3-[cyclopropyl(ethyl)amino]propanoic acid
CID 63909323
methyl 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 63910738
methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63906980
methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate
CID 63910171
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
CID 103190963
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63906996
methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 63927657
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate?
The IUPAC name of methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate (CID 63911302) is methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate.
What is the SMILES notation for methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate?
The canonical SMILES for methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate is CCN(CC(N)(C(=O)OC)C1CC1)C1CCCC1.
What is the InChIKey of methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate?
The InChIKey is ORVPYCJEYJRGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-16(12-6-4-5-7-12)10-14(15,11-8-9-11)13(17)18-2/h11-12H,3-10,15H2,1-2H3.
What are the key properties of methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate?
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate has a molecular weight of 254.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate is sourced from PubChem (CID 63911302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).