methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate

C15H28N2O2 — CID 79184202

IUPACmethyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)(CCN1CC(C)C(C)C1)NC1CC1
InChIInChI=1S/C15H28N2O2/c1-11-9-17(10-12(11)2)8-7-15(3,14(18)19-4)16-13-5-6-13/h11-13,16H,5-10H2,1-4H3
InChIKeyZRHJWRZGZFDSDF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds6

About methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate

methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate (PubChem CID 79184202) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
PubChem CID79184202
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)(CCN1CC(C)C(C)C1)NC1CC1
InChIInChI=1S/C15H28N2O2/c1-11-9-17(10-12(11)2)8-7-15(3,14(18)19-4)16-13-5-6-13/h11-13,16H,5-10H2,1-4H3
InChIKeyZRHJWRZGZFDSDF-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 79184111
methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
CID 83221112
2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid
CID 102966377
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 62330730
methyl 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 81463972
methyl 2-(cyclopropylamino)-2-methyl-6-(1,4-oxazepan-4-yl)hexanoate
CID 62973331
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372
methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103537978
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate
CID 82699135

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate (CID 79184202) is methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate is COC(=O)C(C)(CCN1CC(C)C(C)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate?
The InChIKey is ZRHJWRZGZFDSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-9-17(10-12(11)2)8-7-15(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)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate?
methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate has a molecular weight of 268.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate is sourced from PubChem (CID 79184202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).