3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid

C10H17NO4 — CID 146417314

IUPAC3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid
SMILESO=CCCCCOC1CCN(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c12-6-2-1-3-7-15-9-4-5-11(8-9)10(13)14/h6,9H,1-5,7-8H2,(H,13,14)
InChIKeyRKUJWRLFWZADLW-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.12
Rot. Bonds6

About 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid

3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid (PubChem CID 146417314) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid
PubChem CID146417314
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid
SMILESO=CCCCCOC1CCN(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c12-6-2-1-3-7-15-9-4-5-11(8-9)10(13)14/h6,9H,1-5,7-8H2,(H,13,14)
InChIKeyRKUJWRLFWZADLW-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hept-6-enoxypyrrolidine-1-carboxylic acid
CID 175825643
tert-butyl (3R)-3-(5-oxopentoxy)pyrrolidine-1-carboxylate
CID 146427934
4-(3-oxopropoxy)piperidine-1-carboxylic acid
CID 176652743
4-(4-bromobutoxy)piperidine-1-carboxylic acid
CID 22279485
4-butoxypiperidine-1-carboxylic acid
CID 69380286
6-cyclopentyloxyhexanal
CID 129416066
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 123542775
3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidine-1-carboxylic acid
CID 172704218
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
CID 135304476
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid (CID 146417314) is 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid is O=CCCCCOC1CCN(C(=O)O)C1.
What is the InChIKey of 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid?
The InChIKey is RKUJWRLFWZADLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-6-2-1-3-7-15-9-4-5-11(8-9)10(13)14/h6,9H,1-5,7-8H2,(H,13,14).
What are the key properties of 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid?
3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxopentoxy)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146417314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).