2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid

C14H21NO2 — CID 43619529

IUPAC2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid
SMILESCCCC(C)(NCc1cccc(C)c1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-8-14(3,13(16)17)15-10-12-7-5-6-11(2)9-12/h5-7,9,15H,4,8,10H2,1-3H3,(H,16,17)
InChIKeyZHQNRZWPIVNBQT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid

2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid (PubChem CID 43619529) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid
PubChem CID43619529
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid
SMILESCCCC(C)(NCc1cccc(C)c1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-8-14(3,13(16)17)15-10-12-7-5-6-11(2)9-12/h5-7,9,15H,4,8,10H2,1-3H3,(H,16,17)
InChIKeyZHQNRZWPIVNBQT-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(3-methylphenyl)methylamino]butanoic acid
CID 78969372
2-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 61205187
2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
CID 61342159
2-methyl-2-[(3-propoxyphenyl)methylamino]pentanoic acid
CID 65055831
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
2-[(3-chloro-4-hydroxyphenyl)methylamino]-2-methylpentanoic acid
CID 65055884
2-(benzylamino)-2-methylheptanoic acid
CID 80557654
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765
2-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpentanoic acid
CID 83240281
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-[(2-cyano-4-pyridinyl)methylamino]-2-methylpentanoic acid
CID 63882556
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-methylpentanoic acid
CID 65055694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid (CID 43619529) is 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid is CCCC(C)(NCc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid?
The InChIKey is ZHQNRZWPIVNBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-8-14(3,13(16)17)15-10-12-7-5-6-11(2)9-12/h5-7,9,15H,4,8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid?
2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid is sourced from PubChem (CID 43619529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).