2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide

C9H17N3O2 — CID 22387050

IUPAC2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CN)CC1=O
InChIInChI=1S/C9H17N3O2/c1-2-7(9(11)14)12-5-6(4-10)3-8(12)13/h6-7H,2-5,10H2,1H3,(H2,11,14)
InChIKeyBVFWIJDITAFODH-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.94
Rot. Bonds4

About 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide

2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 22387050) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID22387050
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CN)CC1=O
InChIInChI=1S/C9H17N3O2/c1-2-7(9(11)14)12-5-6(4-10)3-8(12)13/h6-7H,2-5,10H2,1H3,(H2,11,14)
InChIKeyBVFWIJDITAFODH-UHFFFAOYSA-N
XLogP-0.94
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide (CID 22387050) is 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(CN)CC1=O.
What is the InChIKey of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is BVFWIJDITAFODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-7(9(11)14)12-5-6(4-10)3-8(12)13/h6-7H,2-5,10H2,1H3,(H2,11,14).
What are the key properties of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide?
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 199.25 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 22387050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).