3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid

C18H27NO3 — CID 119228008

IUPAC3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C(C)(C)CCCc1ccccc1)C(=O)O
InChIInChI=1S/C18H27NO3/c1-14(16(20)21)13-19(4)17(22)18(2,3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,20,21)
InChIKeySUDODEMYGBTMBF-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.21
Rot. Bonds8

About 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid

3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid (PubChem CID 119228008) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid
PubChem CID119228008
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)C(C)(C)CCCc1ccccc1)C(=O)O
InChIInChI=1S/C18H27NO3/c1-14(16(20)21)13-19(4)17(22)18(2,3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,20,21)
InChIKeySUDODEMYGBTMBF-UHFFFAOYSA-N
XLogP3.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic 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

N,N,2,2-tetramethyl-7-phenylheptanamide
CID 142211557
3-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 119228891
N,N,2-trimethyl-5-phenylpentan-2-amine
CID 13178252
2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid
CID 119225136
3-[3-(4-tert-butylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228484
3-[1-carboxyethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 82329065
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
3-[[2-(2-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 119228737
3-[[2-(4-ethylphenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 120687231
3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545
2-methyl-4-phenylbutanoic acid
CID 66896591
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid (CID 119228008) is 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)C(C)(C)CCCc1ccccc1)C(=O)O.
What is the InChIKey of 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is SUDODEMYGBTMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(16(20)21)13-19(4)17(22)18(2,3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,20,21).
What are the key properties of 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid?
3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 305.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).