2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid

C15H21NO3 — CID 112517159

IUPAC2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
SMILESCC(CCC(=O)Nc1ccccc1C(C)C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10(2)12-6-4-5-7-13(12)16-14(17)9-8-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNNUJENUCJLRJAZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.25
Rot. Bonds6

About 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid

2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid (PubChem CID 112517159) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
PubChem CID112517159
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
SMILESCC(CCC(=O)Nc1ccccc1C(C)C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10(2)12-6-4-5-7-13(12)16-14(17)9-8-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyNNUJENUCJLRJAZ-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N-(2-propan-2-ylphenyl)propanamide
CID 723442
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
(2S)-2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]propanoic acid
CID 83194689
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109018986
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid?
The IUPAC name of 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid (CID 112517159) is 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid?
The canonical SMILES for 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid is CC(CCC(=O)Nc1ccccc1C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid?
The InChIKey is NNUJENUCJLRJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)12-6-4-5-7-13(12)16-14(17)9-8-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid?
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid is sourced from PubChem (CID 112517159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).