2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide

C9H17N3O2 — CID 71299010

IUPAC2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide
SMILESCC(=O)N1[C@H](CN)CC[C@@H]1CC(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(13)12-7(4-9(11)14)2-3-8(12)5-10/h7-8H,2-5,10H2,1H3,(H2,11,14)/t7-,8+/m1/s1
InChIKeyHUPLAYHRCRNJAN-SFYZADRCSA-N
MW199.25 g/mol
LogP-0.80
Rot. Bonds3

About 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide

2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide (PubChem CID 71299010) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide
PubChem CID71299010
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide
SMILESCC(=O)N1[C@H](CN)CC[C@@H]1CC(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(13)12-7(4-9(11)14)2-3-8(12)5-10/h7-8H,2-5,10H2,1H3,(H2,11,14)/t7-,8+/m1/s1
InChIKeyHUPLAYHRCRNJAN-SFYZADRCSA-N
XLogP-0.80
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide (CID 71299010) is 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide is CC(=O)N1[C@H](CN)CC[C@@H]1CC(N)=O.
What is the InChIKey of 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide?
The InChIKey is HUPLAYHRCRNJAN-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(13)12-7(4-9(11)14)2-3-8(12)5-10/h7-8H,2-5,10H2,1H3,(H2,11,14)/t7-,8+/m1/s1.
What are the key properties of 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide?
2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide has a molecular weight of 199.25 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 71299010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).