2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C10H17NO3 — CID 154251670

IUPAC2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1(CO)CC1CC1
InChIInChI=1S/C10H17NO3/c12-7-10(6-8-2-3-8)4-1-5-11(10)9(13)14/h8,12H,1-7H2,(H,13,14)
InChIKeyZBWOVZXATDUMPA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.29
Rot. Bonds3

About 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 154251670) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID154251670
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1(CO)CC1CC1
InChIInChI=1S/C10H17NO3/c12-7-10(6-8-2-3-8)4-1-5-11(10)9(13)14/h8,12H,1-7H2,(H,13,14)
InChIKeyZBWOVZXATDUMPA-UHFFFAOYSA-N
XLogP1.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 154251670) is 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1(CO)CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZBWOVZXATDUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-7-10(6-8-2-3-8)4-1-5-11(10)9(13)14/h8,12H,1-7H2,(H,13,14).
What are the key properties of 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154251670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).