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

C11H20N4O3 — CID 59072712

IUPAC2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
SMILESC=C(C)NOCCNC(=O)CN1CC[C@H](N)C1=O
InChIInChI=1S/C11H20N4O3/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)/t9-/m0/s1
InChIKeyCNILXDCNZPVVRW-VIFPVBQESA-N
MW256.31 g/mol
LogP-1.28
Rot. Bonds7

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

2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide (PubChem CID 59072712) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
PubChem CID59072712
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
SMILESC=C(C)NOCCNC(=O)CN1CC[C@H](N)C1=O
InChIInChI=1S/C11H20N4O3/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)/t9-/m0/s1
InChIKeyCNILXDCNZPVVRW-VIFPVBQESA-N
XLogP-1.28
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.28
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

(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-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide;molecular hydrogen
CID 158708327
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?
The IUPAC name of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide (CID 59072712) is 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide?
The canonical SMILES for 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide is C=C(C)NOCCNC(=O)CN1CC[C@H](N)C1=O.
What is the InChIKey of 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide?
The InChIKey is CNILXDCNZPVVRW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O3/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)/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?
2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide has a molecular weight of 256.31 g/mol, XLogP of -1.28, 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 is sourced from PubChem (CID 59072712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).