4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid

C16H25NO2 — CID 61002300

IUPAC4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid
SMILESCC(C)CNC(CC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-16(15(18)19,17-11-13(3)4)14-8-6-5-7-9-14/h5-9,12-13,17H,10-11H2,1-4H3,(H,18,19)
InChIKeyDYPFROLFAGYKBT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.26
Rot. Bonds7

About 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid

4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid (PubChem CID 61002300) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid
PubChem CID61002300
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid
SMILESCC(C)CNC(CC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-16(15(18)19,17-11-13(3)4)14-8-6-5-7-9-14/h5-9,12-13,17H,10-11H2,1-4H3,(H,18,19)
InChIKeyDYPFROLFAGYKBT-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2-(4-methylphenyl)-2-(2-methylpropylamino)butanoic acid
CID 54894807
2-(3-fluorophenyl)-2-(2-methylpropylamino)butanoic acid
CID 114871982
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700
2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid
CID 61002875
methyl 4-methyl-2-phenyl-2-(prop-2-ynylamino)pentanoate
CID 62365289
methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate
CID 61002861
2-(ethylamino)-4-(2-methylpropylsulfanyl)-2-phenylbutanoic acid
CID 116694462
2-(dimethylamino)-4-methyl-2-phenylpentanoic acid
CID 43803067
methyl 3-hydroxy-5-methyl-3-phenylhexanoate
CID 54095217
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid?
The IUPAC name of 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid (CID 61002300) is 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid?
The canonical SMILES for 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid is CC(C)CNC(CC(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid?
The InChIKey is DYPFROLFAGYKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)10-16(15(18)19,17-11-13(3)4)14-8-6-5-7-9-14/h5-9,12-13,17H,10-11H2,1-4H3,(H,18,19).
What are the key properties of 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid?
4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid is sourced from PubChem (CID 61002300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).