4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid

C35H65N5O8 — CID 102113261

IUPAC4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C35H65N5O8/c1-30(2,3)48-29(47)40-35(12,13)22-17-27(44)38-33(8,9)20-15-25(42)36-31(4,5)19-14-24(41)37-32(6,7)21-16-26(43)39-34(10,11)23-18-28(45)46/h14-23H2,1-13H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)(H,40,47)(H,45,46)
InChIKeyPZLDOUDSKYJCBA-UHFFFAOYSA-N
MW683.93 g/mol
LogP4.85
Rot. Bonds20

About 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid

4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid (PubChem CID 102113261) has the molecular formula C35H65N5O8 and a molecular weight of 683.93 g/mol. Its IUPAC name is 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
PubChem CID102113261
Molecular FormulaC35H65N5O8
Molecular Weight683.93 g/mol
Exact Mass683.48
IUPAC Name4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C35H65N5O8/c1-30(2,3)48-29(47)40-35(12,13)22-17-27(44)38-33(8,9)20-15-25(42)36-31(4,5)19-14-24(41)37-32(6,7)21-16-26(43)39-34(10,11)23-18-28(45)46/h14-23H2,1-13H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)(H,40,47)(H,45,46)
InChIKeyPZLDOUDSKYJCBA-UHFFFAOYSA-N
XLogP4.85
TPSA192.03 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.93
LogP ≤ 54.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic 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

4-methyl-4-[[2-(methylsulfamoyl)acetyl]amino]pentanoic acid
CID 119357249
4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoic acid
CID 10880301
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
4-(5-methoxypentanoylamino)-4-methylpentanoic acid
CID 119203844
4-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 62043301
methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
CID 15384249
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
4-[3-(3,5-dimethylphenyl)propanoylamino]-4-methylpentanoic acid
CID 120519483
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
tert-butyl N-[2-methyl-4-[2-methyl-5-[[3-methyl-3-[3-methyl-3-(propanoylamino)butoxy]butyl]amino]-5-oxopentan-2-yl]oxybutan-2-yl]carbamate
CID 170128014
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid (CID 102113261) is 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?
The InChIKey is PZLDOUDSKYJCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65N5O8/c1-30(2,3)48-29(47)40-35(12,13)22-17-27(44)38-33(8,9)20-15-25(42)36-31(4,5)19-14-24(41)37-32(6,7)21-16-26(43)39-34(10,11)23-18-28(45)46/h14-23H2,1-13H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)(H,40,47)(H,45,46).
What are the key properties of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?
4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid has a molecular weight of 683.93 g/mol, XLogP of 4.85, 20 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 102113261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).