3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid

C9H17NO3 — CID 63141172

IUPAC3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCNC1
InChIInChI=1S/C9H17NO3/c1-13-6-2-3-9(8(11)12)4-5-10-7-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyKVQXDXONXGDLPF-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.48
Rot. Bonds5

About 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid

3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid (PubChem CID 63141172) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
PubChem CID63141172
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCNC1
InChIInChI=1S/C9H17NO3/c1-13-6-2-3-9(8(11)12)4-5-10-7-9/h10H,2-7H2,1H3,(H,11,12)
InChIKeyKVQXDXONXGDLPF-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxybutyl)piperidine-3-carboxylic acid
CID 104648540
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
CID 67624891
methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate
CID 95970335
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-(3-methoxypropyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 125453432
3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 63140661
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
3-(methoxymethyl)piperidine-3-carboxylic acid;hydrochloride
CID 122163546
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid (CID 63141172) is 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid is COCCCC1(C(=O)O)CCNC1.
What is the InChIKey of 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KVQXDXONXGDLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-6-2-3-9(8(11)12)4-5-10-7-9/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid?
3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63141172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).