3,3-dimethyl-5-nitrosopentanoic acid

C7H13NO3 — CID 174843288

IUPAC3,3-dimethyl-5-nitrosopentanoic acid
SMILESCC(C)(CCN=O)CC(=O)O
InChIInChI=1S/C7H13NO3/c1-7(2,3-4-8-11)5-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyMAGWUXKQZZSXRA-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.64
Rot. Bonds5

About 3,3-dimethyl-5-nitrosopentanoic acid

3,3-dimethyl-5-nitrosopentanoic acid (PubChem CID 174843288) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3,3-dimethyl-5-nitrosopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-nitrosopentanoic acid
PubChem CID174843288
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3,3-dimethyl-5-nitrosopentanoic acid
SMILESCC(C)(CCN=O)CC(=O)O
InChIInChI=1S/C7H13NO3/c1-7(2,3-4-8-11)5-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyMAGWUXKQZZSXRA-UHFFFAOYSA-N
XLogP1.64
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyloctanoic acid
CID 20501381
3,3-dimethylnonanoic acid
CID 5282685
5-ethylsulfonyl-3,3-dimethylpentanoic acid
CID 106735284
3,3-dimethyl-1-nitrosobutane
CID 57089696
4-amino-3,3-dimethylbutanoic acid
CID 910834
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
7-methoxy-3,3-dimethylheptanoic acid
CID 104650863
6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid
CID 59659514
5-[(4-carboxy-3,3-dimethylbutyl)carbamothioylamino]-3,3-dimethylpentanoic acid
CID 11290511
manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893
4-isocyanato-3,3-dimethylbutanoic acid
CID 147028528
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-nitrosopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-nitrosopentanoic acid (CID 174843288) is 3,3-dimethyl-5-nitrosopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-nitrosopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-nitrosopentanoic acid is CC(C)(CCN=O)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-5-nitrosopentanoic acid?
The InChIKey is MAGWUXKQZZSXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,3-4-8-11)5-6(9)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 3,3-dimethyl-5-nitrosopentanoic acid?
3,3-dimethyl-5-nitrosopentanoic acid has a molecular weight of 159.18 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-nitrosopentanoic acid is sourced from PubChem (CID 174843288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).