4-pyrrolidin-1-ylpentanoic acid

C9H17NO2 — CID 18524006

IUPAC4-pyrrolidin-1-ylpentanoic acid
SMILESCC(CCC(=O)O)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-8(4-5-9(11)12)10-6-2-3-7-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOBVUMCJLQKMUKG-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.34
Rot. Bonds4

About 4-pyrrolidin-1-ylpentanoic acid

4-pyrrolidin-1-ylpentanoic acid (PubChem CID 18524006) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylpentanoic acid.

Molecular Properties

Compound Name4-pyrrolidin-1-ylpentanoic acid
PubChem CID18524006
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-pyrrolidin-1-ylpentanoic acid
SMILESCC(CCC(=O)O)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-8(4-5-9(11)12)10-6-2-3-7-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyOBVUMCJLQKMUKG-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Carboxypropyl)-1-Methylpyrrolidin-1-Ium
CID 21578870
4-(Trimethylammonio)pentanoate
CID 90655245
4-(Pyrrolidin-1-yl)butanoic acid hydrochloride
CID 14855682
4-(1-Methylpyrrolidin-1-ium-1-yl)butanoic acid chloride
CID 90655224
4-(Trimethylammonio)pentanoic Acid
CID 73167559
1-Pyrrolidinebutanoic acid
CID 14855681
3-(1-Methylpyrrolidin-2-yl)propanoic acid hydrochloride
CID 122164179
Rac-(1s,3s)-3-(pyrrolidin-1-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 154878787
4-(Methyl(propan-2-yl)amino)butanoic acid hydrochloride
CID 165675460
4-(Isopropyl(methyl)amino)butanoic acid
CID 21027685
3-(1-Methylpyrrolidin-2-yl)propanoic acid
CID 22067847
3-(Pyrrolidin-1-yl)cyclobutane-1-carboxylic acid
CID 105434110

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylpentanoic acid?
The IUPAC name of 4-pyrrolidin-1-ylpentanoic acid (CID 18524006) is 4-pyrrolidin-1-ylpentanoic acid.
What is the SMILES notation for 4-pyrrolidin-1-ylpentanoic acid?
The canonical SMILES for 4-pyrrolidin-1-ylpentanoic acid is CC(CCC(=O)O)N1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylpentanoic acid?
The InChIKey is OBVUMCJLQKMUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(4-5-9(11)12)10-6-2-3-7-10/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-pyrrolidin-1-ylpentanoic acid?
4-pyrrolidin-1-ylpentanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylpentanoic acid is sourced from PubChem (CID 18524006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).