benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate

C16H24N2O2 — CID 106484429

IUPACbenzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
SMILESCC(CN(C)C1CCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(11-18(2)15-8-9-17-10-15)16(19)20-12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyHJILEPHVRZEUCD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.66
Rot. Bonds6

About benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate

benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate (PubChem CID 106484429) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate.

Molecular Properties

Compound Namebenzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
PubChem CID106484429
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebenzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
SMILESCC(CN(C)C1CCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(11-18(2)15-8-9-17-10-15)16(19)20-12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyHJILEPHVRZEUCD-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239
(2R)-3-oxo-3-phenylmethoxy-2-[phenylmethoxycarbonyl(pyrrolidin-3-yl)amino]propanoic acid
CID 68577473
benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate
CID 106484238
benzyl 2-amino-2-pyrrolidin-3-ylacetate
CID 71302808
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002
2-[methyl(pyrrolidin-3-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 63298363
benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
benzyl 2-methyl-3-(N-methylanilino)propanoate
CID 106484216
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate
CID 18677686
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate?
The IUPAC name of benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate (CID 106484429) is benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate.
What is the SMILES notation for benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate?
The canonical SMILES for benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate is CC(CN(C)C1CCNC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate?
The InChIKey is HJILEPHVRZEUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(11-18(2)15-8-9-17-10-15)16(19)20-12-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3.
What are the key properties of benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate?
benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate has a molecular weight of 276.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate is sourced from PubChem (CID 106484429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).