(2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide

C15H20N4O3 — CID 10968718

IUPAC(2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide
SMILESCNN1C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C1=O
InChIInChI=1S/C15H20N4O3/c1-10(20)17-12(8-11-6-4-3-5-7-11)14(21)18-13-9-19(16-2)15(13)22/h3-7,12-13,16H,8-9H2,1-2H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyOPBMIMGHIZIFJF-STQMWFEESA-N
MW304.35 g/mol
LogP-0.80
Rot. Bonds6

About (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide

(2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide (PubChem CID 10968718) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide
PubChem CID10968718
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide
SMILESCNN1C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C1=O
InChIInChI=1S/C15H20N4O3/c1-10(20)17-12(8-11-6-4-3-5-7-11)14(21)18-13-9-19(16-2)15(13)22/h3-7,12-13,16H,8-9H2,1-2H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyOPBMIMGHIZIFJF-STQMWFEESA-N
XLogP-0.80
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide (CID 10968718) is (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide is CNN1C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C1=O.
What is the InChIKey of (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide?
The InChIKey is OPBMIMGHIZIFJF-STQMWFEESA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10(20)17-12(8-11-6-4-3-5-7-11)14(21)18-13-9-19(16-2)15(13)22/h3-7,12-13,16H,8-9H2,1-2H3,(H,17,20)(H,18,21)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide?
(2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide has a molecular weight of 304.35 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 10968718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).