5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid

C20H37N5O6 — CID 18295010

IUPAC5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid
SMILESCCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)O)C(C)CC
InChIInChI=1S/C20H37N5O6/c1-6-10(3)15(22)18(28)25-16(11(4)7-2)19(29)23-12(5)17(27)24-13(20(30)31)8-9-14(21)26/h10-13,15-16H,6-9,22H2,1-5H3,(H2,21,26)(H,23,29)(H,24,27)(H,25,28)(H,30,31)
InChIKeyDIWLNEOJPRDMKI-UHFFFAOYSA-N
MW443.55 g/mol
LogP-0.77
Rot. Bonds14

About 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid

5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid (PubChem CID 18295010) has the molecular formula C20H37N5O6 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid
PubChem CID18295010
Molecular FormulaC20H37N5O6
Molecular Weight443.55 g/mol
Exact Mass443.27
IUPAC Name5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid
SMILESCCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)O)C(C)CC
InChIInChI=1S/C20H37N5O6/c1-6-10(3)15(22)18(28)25-16(11(4)7-2)19(29)23-12(5)17(27)24-13(20(30)31)8-9-14(21)26/h10-13,15-16H,6-9,22H2,1-5H3,(H2,21,26)(H,23,29)(H,24,27)(H,25,28)(H,30,31)
InChIKeyDIWLNEOJPRDMKI-UHFFFAOYSA-N
XLogP-0.77
TPSA193.71 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 5-0.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
CID 18295090
5-amino-2-[[4-amino-2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 18500650
5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 22702638
5-amino-2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 19941841
5-amino-2-[[2-[[5-amino-2-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18294194
(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
CID 145456176
5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 18296385
(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid
CID 175946910
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18236539
2-[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]pentanedioic acid
CID 22655675
5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
CID 18298102
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]pentanedioic acid
CID 22652262

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid (CID 18295010) is 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid is CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)O)C(C)CC.
What is the InChIKey of 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid?
The InChIKey is DIWLNEOJPRDMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O6/c1-6-10(3)15(22)18(28)25-16(11(4)7-2)19(29)23-12(5)17(27)24-13(20(30)31)8-9-14(21)26/h10-13,15-16H,6-9,22H2,1-5H3,(H2,21,26)(H,23,29)(H,24,27)(H,25,28)(H,30,31).
What are the key properties of 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid?
5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid has a molecular weight of 443.55 g/mol, XLogP of -0.77, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 18295010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).