ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate

C13H24N2O2 — CID 63910147

IUPACethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(N)(CN1CCC(C)C1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-3-17-12(16)13(14,11-4-5-11)9-15-7-6-10(2)8-15/h10-11H,3-9,14H2,1-2H3
InChIKeyYAAYHZPWFBEBLB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.00
Rot. Bonds5

About ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate

ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate (PubChem CID 63910147) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
PubChem CID63910147
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(N)(CN1CCC(C)C1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-3-17-12(16)13(14,11-4-5-11)9-15-7-6-10(2)8-15/h10-11H,3-9,14H2,1-2H3
InChIKeyYAAYHZPWFBEBLB-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910733
ethyl 2-amino-2-cyclopropyl-3-(2-methylmorpholin-4-yl)propanoate
CID 63907673
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
ethyl 2-amino-2-cyclopropyl-3-(1,4-oxazepan-4-yl)propanoate
CID 63927435
ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596411
ethyl 2-amino-2-cyclopropyl-3-(2,2-dimethylmorpholin-4-yl)propanoate
CID 63911116
methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014
ethyl 2-amino-2-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 63906631
methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583947
ethyl 2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63907702
methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63925815
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate (CID 63910147) is ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate is CCOC(=O)C(N)(CN1CCC(C)C1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate?
The InChIKey is YAAYHZPWFBEBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-12(16)13(14,11-4-5-11)9-15-7-6-10(2)8-15/h10-11H,3-9,14H2,1-2H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate has a molecular weight of 240.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 63910147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).