ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate

C15H29N3O2 — CID 63165779

IUPACethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(C)(CN1CCC(N2CCCC2)C1)NC
InChIInChI=1S/C15H29N3O2/c1-4-20-14(19)15(2,16-3)12-17-10-7-13(11-17)18-8-5-6-9-18/h13,16H,4-12H2,1-3H3
InChIKeyKJAURDNFISTNJX-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds6

About ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate

ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate (PubChem CID 63165779) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
PubChem CID63165779
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nameethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(C)(CN1CCC(N2CCCC2)C1)NC
InChIInChI=1S/C15H29N3O2/c1-4-20-14(19)15(2,16-3)12-17-10-7-13(11-17)18-8-5-6-9-18/h13,16H,4-12H2,1-3H3
InChIKeyKJAURDNFISTNJX-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
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 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63971227
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(methylamino)propanoic acid
CID 63151180
methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63925815
2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63926418
ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate
CID 62778005
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522
methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63165821
2-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]butanal
CID 55158758
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate (CID 63165779) is ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate is CCOC(=O)C(C)(CN1CCC(N2CCCC2)C1)NC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate?
The InChIKey is KJAURDNFISTNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-20-14(19)15(2,16-3)12-17-10-7-13(11-17)18-8-5-6-9-18/h13,16H,4-12H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate?
ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate has a molecular weight of 283.42 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 63165779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).