(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid

C10H12N2O3 — CID 87160130

IUPAC(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
SMILESCN[C@@H](Cc1ccc(N=O)cc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-11-9(10(13)14)6-7-2-4-8(12-15)5-3-7/h2-5,9,11H,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWMOXYTQEFOVWIM-VIFPVBQESA-N
MW208.22 g/mol
LogP1.30
Rot. Bonds5

About (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid

(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid (PubChem CID 87160130) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
PubChem CID87160130
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
SMILESCN[C@@H](Cc1ccc(N=O)cc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-11-9(10(13)14)6-7-2-4-8(12-15)5-3-7/h2-5,9,11H,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWMOXYTQEFOVWIM-VIFPVBQESA-N
XLogP1.30
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
(2S)-3-(4-bromophenyl)-2-(methylamino)propanoic acid;sulfane
CID 160604055
3-(4-bromophenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 167716194
3-[4-(dimethylamino)phenyl]-2-(methylamino)propanoic acid
CID 69460954
(2S)-3-[4-(4-fluorophenyl)phenyl]-2-(methylamino)propanoic acid
CID 162376814
(2S)-3-[4-[(4-formylphenyl)methyl]phenyl]-2-(methylamino)propanoic acid
CID 87405104
3-(4-acetyloxyphenyl)-2-(methylamino)propanoic acid
CID 118137398
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
azane;3-(4-hydroxyphenyl)-2-(methylamino)propanamide;3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 158661642
(2S)-3-[4-(difluoromethoxy)phenyl]-2-(methylamino)propanoic acid
CID 146563114
3-methyl-4-(4-nitrosophenyl)butanoic acid
CID 141439546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid (CID 87160130) is (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid is CN[C@@H](Cc1ccc(N=O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid?
The InChIKey is WMOXYTQEFOVWIM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-9(10(13)14)6-7-2-4-8(12-15)5-3-7/h2-5,9,11H,6H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid?
(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid is sourced from PubChem (CID 87160130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).