[1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate

C9H16N2O3 — CID 58475196

IUPAC[1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate
SMILESCC1CC(OC=O)N(C(=O)CCN)C1
InChIInChI=1S/C9H16N2O3/c1-7-4-9(14-6-12)11(5-7)8(13)2-3-10/h6-7,9H,2-5,10H2,1H3
InChIKeyXQDGPFVVBJHHQS-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.30
Rot. Bonds4

About [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate

[1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate (PubChem CID 58475196) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate.

Molecular Properties

Compound Name[1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate
PubChem CID58475196
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name[1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate
SMILESCC1CC(OC=O)N(C(=O)CCN)C1
InChIInChI=1S/C9H16N2O3/c1-7-4-9(14-6-12)11(5-7)8(13)2-3-10/h6-7,9H,2-5,10H2,1H3
InChIKeyXQDGPFVVBJHHQS-UHFFFAOYSA-N
XLogP-0.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate?
The IUPAC name of [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate (CID 58475196) is [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate.
What is the SMILES notation for [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate?
The canonical SMILES for [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate is CC1CC(OC=O)N(C(=O)CCN)C1.
What is the InChIKey of [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate?
The InChIKey is XQDGPFVVBJHHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7-4-9(14-6-12)11(5-7)8(13)2-3-10/h6-7,9H,2-5,10H2,1H3.
What are the key properties of [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate?
[1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate has a molecular weight of 200.24 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropanoyl)-4-methylpyrrolidin-2-yl] formate is sourced from PubChem (CID 58475196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).