4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid

C8H15NO4 — CID 106670158

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC(O)C(O)C1
InChIInChI=1S/C8H15NO4/c10-6-4-9(5-7(6)11)3-1-2-8(12)13/h6-7,10-11H,1-5H2,(H,12,13)
InChIKeyVKJLGJCKTMCFEA-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.11
Rot. Bonds4

About 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid

4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid (PubChem CID 106670158) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
PubChem CID106670158
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC(O)C(O)C1
InChIInChI=1S/C8H15NO4/c10-6-4-9(5-7(6)11)3-1-2-8(12)13/h6-7,10-11H,1-5H2,(H,12,13)
InChIKeyVKJLGJCKTMCFEA-UHFFFAOYSA-N
XLogP-1.11
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pentanoic acid
CID 163404210
4-(3,4-dihydroxypyrrolidin-1-yl)butanehydrazide
CID 106674306
4-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687036
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364079
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
CID 66391546
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-(3,4-dimethylpiperidin-1-yl)butanoic acid
CID 115873359
6-(3-propylazetidin-1-yl)hexanoic acid
CID 79686619

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid (CID 106670158) is 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid is O=C(O)CCCN1CC(O)C(O)C1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid?
The InChIKey is VKJLGJCKTMCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-6-4-9(5-7(6)11)3-1-2-8(12)13/h6-7,10-11H,1-5H2,(H,12,13).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid?
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid has a molecular weight of 189.21 g/mol, XLogP of -1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 106670158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).