4-methyl-3-pyrrolidin-3-ylpentanoic acid

C10H19NO2 — CID 82406112

IUPAC4-methyl-3-pyrrolidin-3-ylpentanoic acid
SMILESCC(C)C(CC(=O)O)C1CCNC1
InChIInChI=1S/C10H19NO2/c1-7(2)9(5-10(12)13)8-3-4-11-6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyZYIYOAYUKODEMD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.34
Rot. Bonds4

About 4-methyl-3-pyrrolidin-3-ylpentanoic acid

4-methyl-3-pyrrolidin-3-ylpentanoic acid (PubChem CID 82406112) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-3-ylpentanoic acid.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-3-ylpentanoic acid
PubChem CID82406112
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-methyl-3-pyrrolidin-3-ylpentanoic acid
SMILESCC(C)C(CC(=O)O)C1CCNC1
InChIInChI=1S/C10H19NO2/c1-7(2)9(5-10(12)13)8-3-4-11-6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyZYIYOAYUKODEMD-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
3,3-dimethyl-2-pyrrolidin-3-ylbutanoic acid
CID 69238948
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid
CID 95732457
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
(3R)-4-methyl-3-(3-oxocyclohexyl)pentanoic acid
CID 54072750
2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
CID 105443031
2,2,2-trifluoro-N-(2-methyl-1-pyrrolidin-3-ylpropyl)acetamide
CID 169194163
2-cyclopropyl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977089
3-methyl-1-pyrrolidin-3-ylbutan-1-ol
CID 78158472

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-3-ylpentanoic acid?
The IUPAC name of 4-methyl-3-pyrrolidin-3-ylpentanoic acid (CID 82406112) is 4-methyl-3-pyrrolidin-3-ylpentanoic acid.
What is the SMILES notation for 4-methyl-3-pyrrolidin-3-ylpentanoic acid?
The canonical SMILES for 4-methyl-3-pyrrolidin-3-ylpentanoic acid is CC(C)C(CC(=O)O)C1CCNC1.
What is the InChIKey of 4-methyl-3-pyrrolidin-3-ylpentanoic acid?
The InChIKey is ZYIYOAYUKODEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)9(5-10(12)13)8-3-4-11-6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-3-pyrrolidin-3-ylpentanoic acid?
4-methyl-3-pyrrolidin-3-ylpentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolidin-3-ylpentanoic acid is sourced from PubChem (CID 82406112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).