2-(3,4-dihydroxypyrrolidin-1-yl)butanamide

C8H16N2O3 — CID 106672064

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CC(O)C(O)C1
InChIInChI=1S/C8H16N2O3/c1-2-5(8(9)13)10-3-6(11)7(12)4-10/h5-7,11-12H,2-4H2,1H3,(H2,9,13)
InChIKeyNPYVDZIKBPUNEE-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.71
Rot. Bonds3

About 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide

2-(3,4-dihydroxypyrrolidin-1-yl)butanamide (PubChem CID 106672064) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
PubChem CID106672064
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CC(O)C(O)C1
InChIInChI=1S/C8H16N2O3/c1-2-5(8(9)13)10-3-6(11)7(12)4-10/h5-7,11-12H,2-4H2,1H3,(H2,9,13)
InChIKeyNPYVDZIKBPUNEE-UHFFFAOYSA-N
XLogP-1.71
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754
1-[1-(1-amino-1-oxobutan-2-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310444
2-(3-methyl-4-oxoimidazolidin-1-yl)butanamide
CID 130634425
1-pentan-3-ylpyrrolidine-3,4-diol
CID 106672556
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
CID 78945283
2-[3-(methylaminomethyl)pyrrolidin-1-yl]butanamide
CID 63267432
(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid
CID 129359488
(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide
CID 157427714
(2S)-2-[(3R,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]butanoic acid
CID 129499596
2-(8-azaspiro[4.5]decan-8-yl)butanamide
CID 63159383

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide (CID 106672064) is 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide is CCC(C(N)=O)N1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
The InChIKey is NPYVDZIKBPUNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-5(8(9)13)10-3-6(11)7(12)4-10/h5-7,11-12H,2-4H2,1H3,(H2,9,13).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide?
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide has a molecular weight of 188.23 g/mol, XLogP of -1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)butanamide is sourced from PubChem (CID 106672064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).