2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide

C12H22N4O2 — CID 22888540

IUPAC2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide
SMILESC=C(C)NCCCNC(=O)CN1CCC(N)C1=O
InChIInChI=1S/C12H22N4O2/c1-9(2)14-5-3-6-15-11(17)8-16-7-4-10(13)12(16)18/h10,14H,1,3-8,13H2,2H3,(H,15,17)
InChIKeyWOJJNHORNPGVMN-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.82
Rot. Bonds7

About 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide

2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide (PubChem CID 22888540) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide
PubChem CID22888540
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide
SMILESC=C(C)NCCCNC(=O)CN1CCC(N)C1=O
InChIInChI=1S/C12H22N4O2/c1-9(2)14-5-3-6-15-11(17)8-16-7-4-10(13)12(16)18/h10,14H,1,3-8,13H2,2H3,(H,15,17)
InChIKeyWOJJNHORNPGVMN-UHFFFAOYSA-N
XLogP-0.82
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-{3-[Di(propan-2-yl)amino]propyl}-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374738
(S)-3-(allylamino)-1-methyl-2-pyrrolidinone
CID 95365704
N-[2-[(isopropyl)[2-(methylamino)ethyl]amino]ethyl]-2-oxo-1-pyrrolidineacetamide
CID 54032055
2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 59072712
2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide
CID 59916017
(2S)-2-amino-N-[(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide
CID 67476533
(2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide
CID 67476534
(2S)-2-amino-N-[1-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]propanamide
CID 67476536
N-[(3S)-2-oxo-1-propylpyrrolidin-3-yl]acetamide
CID 68224005
(2S)-2-[[(2S)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoyl]amino]propanamide
CID 70513840
(2R)-2-[[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]amino]propanamide
CID 70514810
(2S)-2-[[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]amino]propanamide
CID 70514816

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide?
The IUPAC name of 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide (CID 22888540) is 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide.
What is the SMILES notation for 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide?
The canonical SMILES for 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide is C=C(C)NCCCNC(=O)CN1CCC(N)C1=O.
What is the InChIKey of 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide?
The InChIKey is WOJJNHORNPGVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(2)14-5-3-6-15-11(17)8-16-7-4-10(13)12(16)18/h10,14H,1,3-8,13H2,2H3,(H,15,17).
What are the key properties of 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide?
2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide has a molecular weight of 254.33 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide is sourced from PubChem (CID 22888540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).