3-pyrrolidin-1-ylbutanoic acid

C8H15NO2 — CID 10774162

IUPAC3-pyrrolidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)N1CCCC1
InChIInChI=1S/C8H15NO2/c1-7(6-8(10)11)9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyOVWPFTZHEITDRW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.95
Rot. Bonds3

About 3-pyrrolidin-1-ylbutanoic acid

3-pyrrolidin-1-ylbutanoic acid (PubChem CID 10774162) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name3-pyrrolidin-1-ylbutanoic acid
PubChem CID10774162
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-pyrrolidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)N1CCCC1
InChIInChI=1S/C8H15NO2/c1-7(6-8(10)11)9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyOVWPFTZHEITDRW-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Pyrrolidinyl)propanoic acid
CID 558407
3-(Dimethylamino)butanoic acid
CID 21935982
(3R)-3-(dimethylamino)butanoic acid
CID 22803722
2-Methyl-3-pyrrolidin-1-ylpropanoic acid
CID 43538707
beta-Methyl-2-oxo-1-pyrrolidinepropanoic acid
CID 43361090
2-(1-Ethylpyrrolidin-2-yl)acetic acid
CID 12778855
Methyl 3-pyrrolidin-1-ylbutanoate
CID 10844903
3-(1-Methylpyrrolidin-1-ium-1-yl)propanoic acid chloride
CID 85765821
4,4,4-Trifluoro-3-(3-methylpyrrolidin-1-yl)butanoic acid
CID 63067113
4,4,4-Trifluoro-3-pyrrolidin-1-ylbutanoic acid
CID 63068571
4,4,4-Trifluoro-3-(2-methylpyrrolidin-1-yl)butanoic acid
CID 63073701
3-Fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 115014441

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of 3-pyrrolidin-1-ylbutanoic acid (CID 10774162) is 3-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for 3-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for 3-pyrrolidin-1-ylbutanoic acid is CC(CC(=O)O)N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylbutanoic acid?
The InChIKey is OVWPFTZHEITDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(6-8(10)11)9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-pyrrolidin-1-ylbutanoic acid?
3-pyrrolidin-1-ylbutanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 10774162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).