methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate

C15H28N2O2 — CID 64709444

IUPACmethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
SMILESCOC(=O)C(C)(CC(C)N1CCC(C)C1)NC1CC1
InChIInChI=1S/C15H28N2O2/c1-11-7-8-17(10-11)12(2)9-15(3,14(18)19-4)16-13-5-6-13/h11-13,16H,5-10H2,1-4H3
InChIKeyFCIHRYPREJNQKI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate

methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate (PubChem CID 64709444) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
PubChem CID64709444
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
SMILESCOC(=O)C(C)(CC(C)N1CCC(C)C1)NC1CC1
InChIInChI=1S/C15H28N2O2/c1-11-7-8-17(10-11)12(2)9-15(3,14(18)19-4)16-13-5-6-13/h11-13,16H,5-10H2,1-4H3
InChIKeyFCIHRYPREJNQKI-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

Analyze methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
CID 102966545
ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
CID 64710612
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
CID 64711132
2-amino-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanamide
CID 64711973
methyl 2-methyl-2-(methylamino)-4-(2-methylmorpholin-4-yl)pentanoate
CID 64726592
methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate
CID 103538071
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanoate
CID 64706110
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate
CID 64711964
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentanamide
CID 104960286
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate
CID 64712123

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate (CID 64709444) is methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate is COC(=O)C(C)(CC(C)N1CCC(C)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate?
The InChIKey is FCIHRYPREJNQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-7-8-17(10-11)12(2)9-15(3,14(18)19-4)16-13-5-6-13/h11-13,16H,5-10H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate?
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate 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 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate is sourced from PubChem (CID 64709444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).