(2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide

C8H15N3O3 — CID 72725793

IUPAC(2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)NCC=O
InChIInChI=1S/C8H15N3O3/c1-5(9)7(13)11-6(2)8(14)10-3-4-12/h4-6H,3,9H2,1-2H3,(H,10,14)(H,11,13)/t5-,6-/m0/s1
InChIKeyQXFYIZUNAMPBEM-WDSKDSINSA-N
MW201.23 g/mol
LogP-1.85
Rot. Bonds5

About (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide (PubChem CID 72725793) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide
PubChem CID72725793
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)NCC=O
InChIInChI=1S/C8H15N3O3/c1-5(9)7(13)11-6(2)8(14)10-3-4-12/h4-6H,3,9H2,1-2H3,(H,10,14)(H,11,13)/t5-,6-/m0/s1
InChIKeyQXFYIZUNAMPBEM-WDSKDSINSA-N
XLogP-1.85
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide (CID 72725793) is (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide is C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC=O.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide?
The InChIKey is QXFYIZUNAMPBEM-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-5(9)7(13)11-6(2)8(14)10-3-4-12/h4-6H,3,9H2,1-2H3,(H,10,14)(H,11,13)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide has a molecular weight of 201.23 g/mol, XLogP of -1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 72725793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).