(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide

C13H24N4O4 — CID 134827563

IUPAC(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C13H24N4O4/c1-7(11(19)14-5)16-12(20)9(3)17(6)13(21)8(2)15-10(4)18/h7-9H,1-6H3,(H,14,19)(H,15,18)(H,16,20)/t7-,8-,9-/m0/s1
InChIKeyYZTMFHNDMQGIRU-CIUDSAMLSA-N
MW300.36 g/mol
LogP-1.39
Rot. Bonds6

About (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide

(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide (PubChem CID 134827563) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide
PubChem CID134827563
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C13H24N4O4/c1-7(11(19)14-5)16-12(20)9(3)17(6)13(21)8(2)15-10(4)18/h7-9H,1-6H3,(H,14,19)(H,15,18)(H,16,20)/t7-,8-,9-/m0/s1
InChIKeyYZTMFHNDMQGIRU-CIUDSAMLSA-N
XLogP-1.39
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide (CID 134827563) is (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide is CNC(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(C)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide?
The InChIKey is YZTMFHNDMQGIRU-CIUDSAMLSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-7(11(19)14-5)16-12(20)9(3)17(6)13(21)8(2)15-10(4)18/h7-9H,1-6H3,(H,14,19)(H,15,18)(H,16,20)/t7-,8-,9-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide?
(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide has a molecular weight of 300.36 g/mol, XLogP of -1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]-methylamino]propanoyl]amino]-N-methylpropanamide is sourced from PubChem (CID 134827563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).