4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid

C17H25NO3 — CID 119204659

IUPAC4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-16(2,13-8-6-5-7-9-13)12-14(19)18-17(3,4)11-10-15(20)21/h5-9H,10-12H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyVCPPRCMJBHVBTF-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.11
Rot. Bonds7

About 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid

4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid (PubChem CID 119204659) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid
PubChem CID119204659
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-16(2,13-8-6-5-7-9-13)12-14(19)18-17(3,4)11-10-15(20)21/h5-9H,10-12H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyVCPPRCMJBHVBTF-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
CID 119187916
4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid
CID 119204427
4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
CID 119571116
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
4-[[2-(3-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119357254
4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357141
4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 65350447
4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid
CID 119203692
4-methyl-4-(3-phenylpent-4-enoylamino)pentanoic acid
CID 120519395
4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119204226
4-methyl-4-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 62043511

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid (CID 119204659) is 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CC(C)(C)c1ccccc1.
What is the InChIKey of 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid?
The InChIKey is VCPPRCMJBHVBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2,13-8-6-5-7-9-13)12-14(19)18-17(3,4)11-10-15(20)21/h5-9H,10-12H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid?
4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid is sourced from PubChem (CID 119204659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).