(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid

C15H21NO3 — CID 68612024

IUPAC(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](COCCCc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c17-15(18)16-9-8-14(11-16)12-19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18)/t14-/m1/s1
InChIKeyYJTLPCLKVPQQRR-CQSZACIVSA-N
MW263.34 g/mol
LogP2.64
Rot. Bonds6

About (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid

(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 68612024) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID68612024
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](COCCCc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c17-15(18)16-9-8-14(11-16)12-19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18)/t14-/m1/s1
InChIKeyYJTLPCLKVPQQRR-CQSZACIVSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131
4-[3-oxo-3-[(3S)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]propyl]benzoic acid
CID 124702768
4-[3-oxo-3-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]propyl]benzoic acid
CID 124702763
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745506
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(2-phenylethyl)pyrrolidine-1-carboximidamide
CID 111746227
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
2-amino-3-methoxy-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 120991036
cis-(1R,2S)-2-[(3S)-3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132640
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenylethoxy)ethanone;hydrochloride
CID 119486723

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid (CID 68612024) is (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](COCCCc2ccccc2)C1.
What is the InChIKey of (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is YJTLPCLKVPQQRR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(18)16-9-8-14(11-16)12-19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid?
(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68612024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).