4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid

C15H23NO2 — CID 66096034

IUPAC4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid
SMILESCC(C)c1ccc(C(C)(CC(=O)O)C(C)N)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)12-5-7-13(8-6-12)15(4,11(3)16)9-14(17)18/h5-8,10-11H,9,16H2,1-4H3,(H,17,18)
InChIKeyPDKDEGFJJUQGJH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.89
Rot. Bonds5

About 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid

4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid (PubChem CID 66096034) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid
PubChem CID66096034
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid
SMILESCC(C)c1ccc(C(C)(CC(=O)O)C(C)N)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)12-5-7-13(8-6-12)15(4,11(3)16)9-14(17)18/h5-8,10-11H,9,16H2,1-4H3,(H,17,18)
InChIKeyPDKDEGFJJUQGJH-UHFFFAOYSA-N
XLogP2.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexanoate
CID 66098770
3-methyl-2,3-diphenylpentanedioic acid
CID 175851061
4-amino-3-(4-chlorophenyl)-3-ethylpentanoic acid
CID 66097085
4-amino-3-methyl-3-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 66099188
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol
CID 66091948
methyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
CID 79848368
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595
methyl 4-amino-3-methyl-3-[4-(2-methylpropyl)phenyl]pentanoate
CID 66098334
2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid
CID 154135405
ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
CID 79848294
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid?
The IUPAC name of 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid (CID 66096034) is 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid.
What is the SMILES notation for 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid?
The canonical SMILES for 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid is CC(C)c1ccc(C(C)(CC(=O)O)C(C)N)cc1.
What is the InChIKey of 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid?
The InChIKey is PDKDEGFJJUQGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)12-5-7-13(8-6-12)15(4,11(3)16)9-14(17)18/h5-8,10-11H,9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid?
4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid is sourced from PubChem (CID 66096034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).