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

Tert-butyl 2-[(4-methoxypyrrolidin-3-yl)amino]acetate
CID 18969071
tert-butyl 2-[[(3S,4S)-4-methoxypyrrolidin-3-yl]amino]acetate
CID 54176132
Methyl 2-{[2-(pyrrolidin-1-yl)ethyl]amino}propanoate
CID 59822519
methyl (2S)-3-amino-2-pyrrolidin-1-ylpropanoate
CID 67495200
(+)-trans-3-(N-t-butoxycarbonylmethylamino)-4-methoxypyrrolidine
CID 70202232
methyl (2R)-2-[[1-(aminomethyl)cyclopropyl]amino]propanoate
CID 70236762
methyl 2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]acetate
CID 143839092
[4-(Cyclopropylamino)-1-methylpyrrolidin-3-yl] 2-methylpropanoate
CID 162779597
[4-(Cyclopropylamino)-1-methylpyrrolidin-3-yl] acetate
CID 166978055
Propan-2-yl 2,3-bis(tert-butylamino)propanoate
CID 3030822
Methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)propanoate
CID 55128142
Methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoate
CID 55128192

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).