2-methyl-4-nitroso-5-phenylpentanoic acid

C12H15NO3 — CID 123427614

IUPAC2-methyl-4-nitroso-5-phenylpentanoic acid
SMILESCC(CC(Cc1ccccc1)N=O)C(=O)O
InChIInChI=1S/C12H15NO3/c1-9(12(14)15)7-11(13-16)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,14,15)
InChIKeyXRQOMCFIXPMMIJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.47
Rot. Bonds6

About 2-methyl-4-nitroso-5-phenylpentanoic acid

2-methyl-4-nitroso-5-phenylpentanoic acid (PubChem CID 123427614) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-4-nitroso-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-methyl-4-nitroso-5-phenylpentanoic acid
PubChem CID123427614
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-methyl-4-nitroso-5-phenylpentanoic acid
SMILESCC(CC(Cc1ccccc1)N=O)C(=O)O
InChIInChI=1S/C12H15NO3/c1-9(12(14)15)7-11(13-16)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,14,15)
InChIKeyXRQOMCFIXPMMIJ-UHFFFAOYSA-N
XLogP2.47
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
4-hydroxy-2-methyl-5-phenylpentanoic acid
CID 57472998
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2,4-dimethyl-6-phenylhexanoic acid
CID 174481116
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
2-benzyl-4-methylpentanoic acid
CID 15416243
2-fluoro-3-methyl-4-phenylbutanoic acid
CID 81357532
(2S)-2-(5-methylhexan-2-ylamino)-3-phenylpropanoic acid
CID 122037626
CID 20537348
CID 20537348
2-methyl-4-phenylbutanoic acid
CID 66896591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitroso-5-phenylpentanoic acid?
The IUPAC name of 2-methyl-4-nitroso-5-phenylpentanoic acid (CID 123427614) is 2-methyl-4-nitroso-5-phenylpentanoic acid.
What is the SMILES notation for 2-methyl-4-nitroso-5-phenylpentanoic acid?
The canonical SMILES for 2-methyl-4-nitroso-5-phenylpentanoic acid is CC(CC(Cc1ccccc1)N=O)C(=O)O.
What is the InChIKey of 2-methyl-4-nitroso-5-phenylpentanoic acid?
The InChIKey is XRQOMCFIXPMMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(12(14)15)7-11(13-16)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,14,15).
What are the key properties of 2-methyl-4-nitroso-5-phenylpentanoic acid?
2-methyl-4-nitroso-5-phenylpentanoic acid has a molecular weight of 221.26 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitroso-5-phenylpentanoic acid is sourced from PubChem (CID 123427614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).