2-(4-nitrosophenyl)butanoic acid

C10H11NO3 — CID 175674505

IUPAC2-(4-nitrosophenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(N=O)cc1
InChIInChI=1S/C10H11NO3/c1-2-9(10(12)13)7-3-5-8(11-14)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)
InChIKeyMTDYDPHNCFWWAW-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-nitrosophenyl)butanoic acid

2-(4-nitrosophenyl)butanoic acid (PubChem CID 175674505) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(4-nitrosophenyl)butanoic acid.

Molecular Properties

Compound Name2-(4-nitrosophenyl)butanoic acid
PubChem CID175674505
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(4-nitrosophenyl)butanoic acid
SMILESCCC(C(=O)O)c1ccc(N=O)cc1
InChIInChI=1S/C10H11NO3/c1-2-9(10(12)13)7-3-5-8(11-14)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)
InChIKeyMTDYDPHNCFWWAW-UHFFFAOYSA-N
XLogP2.66
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
2-(4-sulfanylphenyl)butanoic acid
CID 19823895
2-[4-(1-fluoroethyl)phenyl]butanoic acid
CID 175420495
2-(4-benzoylphenyl)butanoic acid
CID 22621594
2-(4-propan-2-ylsulfanylphenyl)butanoic acid
CID 16640883
4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid
CID 88970474
2-[4-bis[4-(1-carboxypropyl)phenoxy]phosphoryloxyphenyl]butanoic acid
CID 141489530
2-[4-(2-aminoethyl)phenyl]butanoic acid;hydrochloride
CID 70571817
2-[4-[cyclopropyl(difluoro)methyl]phenyl]butanoic acid
CID 116992413
2-[4-(methoxymethylsulfanyl)phenyl]butanoic acid
CID 69059196
2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19599631
2-[4-(difluoromethylsulfonyl)phenyl]butanoic acid
CID 113428088

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrosophenyl)butanoic acid?
The IUPAC name of 2-(4-nitrosophenyl)butanoic acid (CID 175674505) is 2-(4-nitrosophenyl)butanoic acid.
What is the SMILES notation for 2-(4-nitrosophenyl)butanoic acid?
The canonical SMILES for 2-(4-nitrosophenyl)butanoic acid is CCC(C(=O)O)c1ccc(N=O)cc1.
What is the InChIKey of 2-(4-nitrosophenyl)butanoic acid?
The InChIKey is MTDYDPHNCFWWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-9(10(12)13)7-3-5-8(11-14)6-4-7/h3-6,9H,2H2,1H3,(H,12,13).
What are the key properties of 2-(4-nitrosophenyl)butanoic acid?
2-(4-nitrosophenyl)butanoic acid has a molecular weight of 193.20 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrosophenyl)butanoic acid is sourced from PubChem (CID 175674505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).