2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid

C15H21NO3 — CID 18396255

IUPAC2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
SMILESC[C@H](c1ccccc1)N1CCC(COCC(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-12(14-5-3-2-4-6-14)16-8-7-13(9-16)10-19-11-15(17)18/h2-6,12-13H,7-11H2,1H3,(H,17,18)/t12-,13?/m1/s1
InChIKeyMQDYMNLXLGHZQC-PZORYLMUSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds6

About 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid

2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid (PubChem CID 18396255) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
PubChem CID18396255
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
SMILESC[C@H](c1ccccc1)N1CCC(COCC(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-12(14-5-3-2-4-6-14)16-8-7-13(9-16)10-19-11-15(17)18/h2-6,12-13H,7-11H2,1H3,(H,17,18)/t12-,13?/m1/s1
InChIKeyMQDYMNLXLGHZQC-PZORYLMUSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid with MolForge

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Related Compounds

[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
CID 162750163
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
CID 22633923
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
CID 66563768
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 118427405
2-hydroxy-2,2-diphenyl-N-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl]acetamide
CID 11567829
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid (CID 18396255) is 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid is C[C@H](c1ccccc1)N1CCC(COCC(=O)O)C1.
What is the InChIKey of 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid?
The InChIKey is MQDYMNLXLGHZQC-PZORYLMUSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(14-5-3-2-4-6-14)16-8-7-13(9-16)10-19-11-15(17)18/h2-6,12-13H,7-11H2,1H3,(H,17,18)/t12-,13?/m1/s1.
What are the key properties of 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid?
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid is sourced from PubChem (CID 18396255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).