methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate

C15H27N3O2 — CID 63925815

IUPACmethyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(N)(CN1CCC(N2CCCC2)C1)C1CC1
InChIInChI=1S/C15H27N3O2/c1-20-14(19)15(16,12-4-5-12)11-17-9-6-13(10-17)18-7-2-3-8-18/h12-13H,2-11,16H2,1H3
InChIKeyUIDXDYHKAPENDD-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.44
Rot. Bonds5

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

methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate (PubChem CID 63925815) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
PubChem CID63925815
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(N)(CN1CCC(N2CCCC2)C1)C1CC1
InChIInChI=1S/C15H27N3O2/c1-20-14(19)15(16,12-4-5-12)11-17-9-6-13(10-17)18-7-2-3-8-18/h12-13H,2-11,16H2,1H3
InChIKeyUIDXDYHKAPENDD-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282
methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014
methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583947
2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63926418
2-amino-2-cyclopropyl-3-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 63909753
methyl 2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 63908493
ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165779
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)propanoate
CID 65282048
methyl 2-amino-2-cyclopropyl-3-(4-methylsulfonylpiperazin-1-yl)propanoate
CID 63927438
ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate
CID 79931961
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate (CID 63925815) is methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate is COC(=O)C(N)(CN1CCC(N2CCCC2)C1)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate?
The InChIKey is UIDXDYHKAPENDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-20-14(19)15(16,12-4-5-12)11-17-9-6-13(10-17)18-7-2-3-8-18/h12-13H,2-11,16H2,1H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate?
methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate has a molecular weight of 281.40 g/mol, XLogP of 0.44, 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-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 63925815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).