[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

C10H17NO3 — CID 131075397

IUPAC[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CC(O)C(CO)C1
InChIInChI=1S/C10H17NO3/c1-6-2-8(6)10(14)11-3-7(5-12)9(13)4-11/h6-9,12-13H,2-5H2,1H3
InChIKeyJHPVNJWJAYWAAD-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.55
Rot. Bonds2

About [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 131075397) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID131075397
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CC(O)C(CO)C1
InChIInChI=1S/C10H17NO3/c1-6-2-8(6)10(14)11-3-7(5-12)9(13)4-11/h6-9,12-13H,2-5H2,1H3
InChIKeyJHPVNJWJAYWAAD-UHFFFAOYSA-N
XLogP-0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (CID 131075397) is [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1CC(O)C(CO)C1.
What is the InChIKey of [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is JHPVNJWJAYWAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-2-8(6)10(14)11-3-7(5-12)9(13)4-11/h6-9,12-13H,2-5H2,1H3.
What are the key properties of [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 199.25 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 131075397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).