3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid

C10H19NO3 — CID 83819381

IUPAC3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)N1CCC(O)C1
InChIInChI=1S/C10H19NO3/c1-7(2)9(5-10(13)14)11-4-3-8(12)6-11/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeySWWZILJDCQAOTP-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds4

About 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid

3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid (PubChem CID 83819381) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid
PubChem CID83819381
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)N1CCC(O)C1
InChIInChI=1S/C10H19NO3/c1-7(2)9(5-10(13)14)11-4-3-8(12)6-11/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeySWWZILJDCQAOTP-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)pyrrolidin-1-yl]-4-methylpentanoic acid
CID 112709333
1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 68572333
4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid
CID 65422292
(3S)-1-[(2R)-3-methylbutan-2-yl]pyrrolidin-3-ol
CID 172508295
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
1-(1-aminoethyl)pyrrolidin-3-ol
CID 68831329
1-(1-amino-3-methylbutan-2-yl)piperidin-4-ol
CID 82405643
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide
CID 57141649
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
CID 78963745
3-(2,4-dioxo-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-methylpentanoic acid
CID 102689508

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid (CID 83819381) is 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid is CC(C)C(CC(=O)O)N1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid?
The InChIKey is SWWZILJDCQAOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)9(5-10(13)14)11-4-3-8(12)6-11/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid?
3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 83819381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).