methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate

C13H24N2O3 — CID 103537978

IUPACmethyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(CN1CCC(OC)C1)NC1CC1
InChIInChI=1S/C13H24N2O3/c1-13(12(16)18-3,14-10-4-5-10)9-15-7-6-11(8-15)17-2/h10-11,14H,4-9H2,1-3H3
InChIKeyNZQJHNWRSNMOEN-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.39
Rot. Bonds6

About methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate

methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate (PubChem CID 103537978) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
PubChem CID103537978
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(CN1CCC(OC)C1)NC1CC1
InChIInChI=1S/C13H24N2O3/c1-13(12(16)18-3,14-10-4-5-10)9-15-7-6-11(8-15)17-2/h10-11,14H,4-9H2,1-3H3
InChIKeyNZQJHNWRSNMOEN-UHFFFAOYSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103537930
ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103538027
methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol
CID 103540761
methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63635966
methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
CID 102966545
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 103539225
methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
CID 79184202
2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate (CID 103537978) is methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate is COC(=O)C(C)(CN1CCC(OC)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate?
The InChIKey is NZQJHNWRSNMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(12(16)18-3,14-10-4-5-10)9-15-7-6-11(8-15)17-2/h10-11,14H,4-9H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate?
methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate has a molecular weight of 256.35 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 103537978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).