methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate

C20H30N2O4 — CID 7321915

IUPACmethyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H30N2O4/c1-13(2)10-17(20(25)26-5)22-19(24)12-15(4)11-18(23)21-16-8-6-14(3)7-9-16/h6-9,13,15,17H,10-12H2,1-5H3,(H,21,23)(H,22,24)/t15-,17+/m0/s1
InChIKeyRUHYKGUYYJYWAC-DOTOQJQBSA-N
MW362.47 g/mol
LogP3.05
Rot. Bonds9

About methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate

methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate (PubChem CID 7321915) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate
PubChem CID7321915
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namemethyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H30N2O4/c1-13(2)10-17(20(25)26-5)22-19(24)12-15(4)11-18(23)21-16-8-6-14(3)7-9-16/h6-9,13,15,17H,10-12H2,1-5H3,(H,21,23)(H,22,24)/t15-,17+/m0/s1
InChIKeyRUHYKGUYYJYWAC-DOTOQJQBSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate with MolForge

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Related Compounds

methyl 2-[(4-amino-3-methylbutanoyl)amino]-4-methylpentanoate
CID 81076154
methyl 4-methyl-2-(3-methylpentanoylamino)pentanoate
CID 114875725
methyl (2S)-2-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]-4-methylpentanoate
CID 90879083
methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate
CID 3943629
methyl (2S)-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylpentanoate
CID 8817915
methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 3570816
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
CID 43704276
methyl (2S)-2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-4-methylpentanoate
CID 106312676
methyl (2S)-2-[(2,5-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 942819
4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide
CID 2847488

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate (CID 7321915) is methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate?
The InChIKey is RUHYKGUYYJYWAC-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-13(2)10-17(20(25)26-5)22-19(24)12-15(4)11-18(23)21-16-8-6-14(3)7-9-16/h6-9,13,15,17H,10-12H2,1-5H3,(H,21,23)(H,22,24)/t15-,17+/m0/s1.
What are the key properties of methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate?
methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate has a molecular weight of 362.47 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate is sourced from PubChem (CID 7321915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).