2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid

C19H34N4O7 — CID 22705408

IUPAC2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
SMILESCCC(C)C(NC(=O)CNC(=O)C(N)CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C19H34N4O7/c1-5-11(4)16(18(28)22-13(19(29)30)6-7-15(25)26)23-14(24)9-21-17(27)12(20)8-10(2)3/h10-13,16H,5-9,20H2,1-4H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26)(H,29,30)
InChIKeyYKESLBXNUAMDFS-UHFFFAOYSA-N
MW430.50 g/mol
LogP-0.56
Rot. Bonds14

About 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid

2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid (PubChem CID 22705408) has the molecular formula C19H34N4O7 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
PubChem CID22705408
Molecular FormulaC19H34N4O7
Molecular Weight430.50 g/mol
Exact Mass430.24
IUPAC Name2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
SMILESCCC(C)C(NC(=O)CNC(=O)C(N)CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C19H34N4O7/c1-5-11(4)16(18(28)22-13(19(29)30)6-7-15(25)26)23-14(24)9-21-17(27)12(20)8-10(2)3/h10-13,16H,5-9,20H2,1-4H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26)(H,29,30)
InChIKeyYKESLBXNUAMDFS-UHFFFAOYSA-N
XLogP-0.56
TPSA187.92 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 5-0.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic 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

2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid
CID 22706344
2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]pentanedioic acid
CID 22702637
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18479750
4-amino-5-[[2-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265412
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]pentanedioic acid
CID 22706559
2-[[2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
CID 22703428
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylpentanoyl]amino]acetyl]amino]pentanedioic acid
CID 22655815
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoic acid
CID 175744809
4-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 22706123
2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioic acid
CID 22704973
4-amino-5-[[2-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265426
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid
CID 22706284

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid (CID 22705408) is 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid is CCC(C)C(NC(=O)CNC(=O)C(N)CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid?
The InChIKey is YKESLBXNUAMDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O7/c1-5-11(4)16(18(28)22-13(19(29)30)6-7-15(25)26)23-14(24)9-21-17(27)12(20)8-10(2)3/h10-13,16H,5-9,20H2,1-4H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26)(H,29,30).
What are the key properties of 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid?
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid has a molecular weight of 430.50 g/mol, XLogP of -0.56, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]pentanedioic acid is sourced from PubChem (CID 22705408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).