(2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide

C8H16N4O3 — CID 71351347

IUPAC(2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CNC(=O)[C@H](C)NC(=O)CN
InChIInChI=1S/C8H16N4O3/c1-5(12-6(13)3-9)8(15)11-4-7(14)10-2/h5H,3-4,9H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)/t5-/m0/s1
InChIKeyOUOKDYRNRJRADW-YFKPBYRVSA-N
MW216.24 g/mol
LogP-2.69
Rot. Bonds5

About (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide

(2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide (PubChem CID 71351347) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide
PubChem CID71351347
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CNC(=O)[C@H](C)NC(=O)CN
InChIInChI=1S/C8H16N4O3/c1-5(12-6(13)3-9)8(15)11-4-7(14)10-2/h5H,3-4,9H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)/t5-/m0/s1
InChIKeyOUOKDYRNRJRADW-YFKPBYRVSA-N
XLogP-2.69
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide (CID 71351347) is (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide is CNC(=O)CNC(=O)[C@H](C)NC(=O)CN.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide?
The InChIKey is OUOKDYRNRJRADW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-5(12-6(13)3-9)8(15)11-4-7(14)10-2/h5H,3-4,9H2,1-2H3,(H,10,14)(H,11,15)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide?
(2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide has a molecular weight of 216.24 g/mol, XLogP of -2.69, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 71351347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).