2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid

C15H27N5O6 — CID 4079599

IUPAC2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C15H27N5O6/c1-6(16)11(21)17-7(2)12(22)18-8(3)13(23)19-9(4)14(24)20-10(5)15(25)26/h6-10H,16H2,1-5H3,(H,17,21)(H,18,22)(H,19,23)(H,20,24)(H,25,26)
InChIKeyXXAUOPDVAKGRPR-UHFFFAOYSA-N
MW373.41 g/mol
LogP-2.56
Rot. Bonds9

About 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid

2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid (PubChem CID 4079599) has the molecular formula C15H27N5O6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
PubChem CID4079599
Molecular FormulaC15H27N5O6
Molecular Weight373.41 g/mol
Exact Mass373.20
IUPAC Name2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C15H27N5O6/c1-6(16)11(21)17-7(2)12(22)18-8(3)13(23)19-9(4)14(24)20-10(5)15(25)26/h6-10H,16H2,1-5H3,(H,17,21)(H,18,22)(H,19,23)(H,20,24)(H,25,26)
InChIKeyXXAUOPDVAKGRPR-UHFFFAOYSA-N
XLogP-2.56
TPSA179.72 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 5-2.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid with MolForge

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Related Compounds

(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-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 5478841
(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
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
(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
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71350639
2-[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]propanoylamino]propanoic acid
CID 18238530
2-aminoacetic acid;(2R)-2-(2-aminopropanoylamino)propanoic acid
CID 88604532
2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]-3-hydroxypropanoic acid
CID 18232597

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid?
The IUPAC name of 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid (CID 4079599) is 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid is CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid?
The InChIKey is XXAUOPDVAKGRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O6/c1-6(16)11(21)17-7(2)12(22)18-8(3)13(23)19-9(4)14(24)20-10(5)15(25)26/h6-10H,16H2,1-5H3,(H,17,21)(H,18,22)(H,19,23)(H,20,24)(H,25,26).
What are the key properties of 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid?
2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid has a molecular weight of 373.41 g/mol, XLogP of -2.56, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid is sourced from PubChem (CID 4079599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).