2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen

C11H24N4O3 — CID 158708327

IUPAC2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
SMILESC=C(C)NOCCNC(=O)CN1CC[C@H](N)C1=O.[H][H].[H][H]
InChIInChI=1S/C11H20N4O3.2H2/c1-8(2)14-18-6-4-13-10(16)7-15-5-3-9(12)11(15)17;;/h9,14H,1,3-7,12H2,2H3,(H,13,16);2*1H/t9-;;/m0../s1
InChIKeyIIKCKIQCASCZCQ-WWPIYYJJSA-N
MW260.34 g/mol
LogP-0.79
Rot. Bonds7

About 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen

2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen (PubChem CID 158708327) has the molecular formula C11H24N4O3 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
PubChem CID158708327
Molecular FormulaC11H24N4O3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Name2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
SMILESC=C(C)NOCCNC(=O)CN1CC[C@H](N)C1=O.[H][H].[H][H]
InChIInChI=1S/C11H20N4O3.2H2/c1-8(2)14-18-6-4-13-10(16)7-15-5-3-9(12)11(15)17;;/h9,14H,1,3-7,12H2,2H3,(H,13,16);2*1H/t9-;;/m0../s1
InChIKeyIIKCKIQCASCZCQ-WWPIYYJJSA-N
XLogP-0.79
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 59072712
(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900107
(2S)-1-methyl-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900110
2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[3-(prop-1-en-2-ylamino)propyl]acetamide
CID 59916017
2-(3-amino-2-oxopyrrolidin-1-yl)-N-[3-(prop-1-en-2-ylamino)propyl]acetamide
CID 22888540
2-(3-amino-2-oxopyrrolidin-1-yl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 23400526

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen?
The IUPAC name of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen (CID 158708327) is 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen is C=C(C)NOCCNC(=O)CN1CC[C@H](N)C1=O.[H][H].[H][H].
What is the InChIKey of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen?
The InChIKey is IIKCKIQCASCZCQ-WWPIYYJJSA-N. The full InChI is InChI=1S/C11H20N4O3.2H2/c1-8(2)14-18-6-4-13-10(16)7-15-5-3-9(12)11(15)17;;/h9,14H,1,3-7,12H2,2H3,(H,13,16);2*1H/t9-;;/m0../s1.
What are the key properties of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen?
2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen has a molecular weight of 260.34 g/mol, XLogP of -0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 158708327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).