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

C12H22N4O2 — CID 59916017

IUPAC2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide
SMILESC=C(C)NCCCNC(=O)CN1CC[C@H](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)/t10-/m0/s1
InChIKeyWOJJNHORNPGVMN-JTQLQIEISA-N
MW254.33 g/mol
LogP-0.82
Rot. Bonds7

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

2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide (PubChem CID 59916017) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide
PubChem CID59916017
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide
SMILESC=C(C)NCCCNC(=O)CN1CC[C@H](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)/t10-/m0/s1
InChIKeyWOJJNHORNPGVMN-JTQLQIEISA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide?
The IUPAC name of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide (CID 59916017) is 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide?
The canonical SMILES for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide is C=C(C)NCCCNC(=O)CN1CC[C@H](N)C1=O.
What is the InChIKey of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide?
The InChIKey is WOJJNHORNPGVMN-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide?
2-[(3S)-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-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide is sourced from PubChem (CID 59916017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).