benzyl 2-amino-2-pyrrolidin-3-ylacetate

C13H18N2O2 — CID 71302808

IUPACbenzyl 2-amino-2-pyrrolidin-3-ylacetate
SMILESNC(C(=O)OCc1ccccc1)C1CCNC1
InChIInChI=1S/C13H18N2O2/c14-12(11-6-7-15-8-11)13(16)17-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,14H2
InChIKeyCUTCHFVLAUIOSV-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.67
Rot. Bonds4

About benzyl 2-amino-2-pyrrolidin-3-ylacetate

benzyl 2-amino-2-pyrrolidin-3-ylacetate (PubChem CID 71302808) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is benzyl 2-amino-2-pyrrolidin-3-ylacetate.

Molecular Properties

Compound Namebenzyl 2-amino-2-pyrrolidin-3-ylacetate
PubChem CID71302808
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namebenzyl 2-amino-2-pyrrolidin-3-ylacetate
SMILESNC(C(=O)OCc1ccccc1)C1CCNC1
InChIInChI=1S/C13H18N2O2/c14-12(11-6-7-15-8-11)13(16)17-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,14H2
InChIKeyCUTCHFVLAUIOSV-UHFFFAOYSA-N
XLogP0.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 106484429
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
CID 142520241
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
(2R)-3-oxo-3-phenylmethoxy-2-[phenylmethoxycarbonyl(pyrrolidin-3-yl)amino]propanoic acid
CID 68577473
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
(2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid
CID 67098900
dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide
CID 90003955
4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174621370

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-2-pyrrolidin-3-ylacetate?
The IUPAC name of benzyl 2-amino-2-pyrrolidin-3-ylacetate (CID 71302808) is benzyl 2-amino-2-pyrrolidin-3-ylacetate.
What is the SMILES notation for benzyl 2-amino-2-pyrrolidin-3-ylacetate?
The canonical SMILES for benzyl 2-amino-2-pyrrolidin-3-ylacetate is NC(C(=O)OCc1ccccc1)C1CCNC1.
What is the InChIKey of benzyl 2-amino-2-pyrrolidin-3-ylacetate?
The InChIKey is CUTCHFVLAUIOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12(11-6-7-15-8-11)13(16)17-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,14H2.
What are the key properties of benzyl 2-amino-2-pyrrolidin-3-ylacetate?
benzyl 2-amino-2-pyrrolidin-3-ylacetate has a molecular weight of 234.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-2-pyrrolidin-3-ylacetate is sourced from PubChem (CID 71302808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).