(2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide

C8H15N3O3 — CID 18600445

IUPAC(2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide
SMILESCC(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C8H15N3O3/c1-4(9)7(13)10-5(2)8(14)11-6(3)12/h4-5H,9H2,1-3H3,(H,10,13)(H,11,12,14)/t4-,5-/m0/s1
InChIKeyZLXZSWORVKZUAH-WHFBIAKZSA-N
MW201.23 g/mol
LogP-1.50
Rot. Bonds3

About (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide

(2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide (PubChem CID 18600445) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide
PubChem CID18600445
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide
SMILESCC(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C8H15N3O3/c1-4(9)7(13)10-5(2)8(14)11-6(3)12/h4-5H,9H2,1-3H3,(H,10,13)(H,11,12,14)/t4-,5-/m0/s1
InChIKeyZLXZSWORVKZUAH-WHFBIAKZSA-N
XLogP-1.50
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 5478841
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 16758239
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101209600
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
CID 4079599
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid;hydrate
CID 91872910
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate
CID 131855428

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide?
The IUPAC name of (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide (CID 18600445) is (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide?
The canonical SMILES for (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide is CC(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide?
The InChIKey is ZLXZSWORVKZUAH-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-4(9)7(13)10-5(2)8(14)11-6(3)12/h4-5H,9H2,1-3H3,(H,10,13)(H,11,12,14)/t4-,5-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide?
(2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide has a molecular weight of 201.23 g/mol, XLogP of -1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-acetamido-1-oxopropan-2-yl]-2-aminopropanamide is sourced from PubChem (CID 18600445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).