2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid

C16H24N2O2 — CID 96554333

IUPAC2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid
SMILESCCN(Cc1ccccc1)C[C@H]1CCCN1CC(=O)O
InChIInChI=1S/C16H24N2O2/c1-2-17(11-14-7-4-3-5-8-14)12-15-9-6-10-18(15)13-16(19)20/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyXNAIBSAMQVHWIE-OAHLLOKOSA-N
MW276.38 g/mol
LogP2.06
Rot. Bonds7

About 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid

2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid (PubChem CID 96554333) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid
PubChem CID96554333
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid
SMILESCCN(Cc1ccccc1)C[C@H]1CCCN1CC(=O)O
InChIInChI=1S/C16H24N2O2/c1-2-17(11-14-7-4-3-5-8-14)12-15-9-6-10-18(15)13-16(19)20/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyXNAIBSAMQVHWIE-OAHLLOKOSA-N
XLogP2.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-[[benzyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554342
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
2-[(2R)-2-[[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]methyl]piperidin-1-yl]acetic acid
CID 174355759
2-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554925
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
2-[2-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]piperidin-1-yl]acetic acid
CID 66566911
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid (CID 96554333) is 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid is CCN(Cc1ccccc1)C[C@H]1CCCN1CC(=O)O.
What is the InChIKey of 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is XNAIBSAMQVHWIE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-17(11-14-7-4-3-5-8-14)12-15-9-6-10-18(15)13-16(19)20/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid?
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 276.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 96554333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).