methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate

C12H22N2O3 — CID 103538014

IUPACmethyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(N)(CN1CCC(OC)C1)C1CC1
InChIInChI=1S/C12H22N2O3/c1-16-10-5-6-14(7-10)8-12(13,9-3-4-9)11(15)17-2/h9-10H,3-8,13H2,1-2H3
InChIKeyCPZLASLVDQYBHZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.01
Rot. Bonds5

About methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate

methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate (PubChem CID 103538014) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
PubChem CID103538014
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(N)(CN1CCC(OC)C1)C1CC1
InChIInChI=1S/C12H22N2O3/c1-16-10-5-6-14(7-10)8-12(13,9-3-4-9)11(15)17-2/h9-10H,3-8,13H2,1-2H3
InChIKeyCPZLASLVDQYBHZ-UHFFFAOYSA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate (CID 103538014) is methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate is COC(=O)C(N)(CN1CCC(OC)C1)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate?
The InChIKey is CPZLASLVDQYBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-10-5-6-14(7-10)8-12(13,9-3-4-9)11(15)17-2/h9-10H,3-8,13H2,1-2H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate?
methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate has a molecular weight of 242.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate is sourced from PubChem (CID 103538014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).