2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid

C11H12N2O4 — CID 84747103

IUPAC2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid
SMILESO=C(O)C(NC1CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O4/c14-11(15)10(12-8-3-4-8)7-1-5-9(6-2-7)13(16)17/h1-2,5-6,8,10,12H,3-4H2,(H,14,15)
InChIKeyGLAZSPDOELGQNK-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.47
Rot. Bonds5

About 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid

2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid (PubChem CID 84747103) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid
PubChem CID84747103
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid
SMILESO=C(O)C(NC1CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O4/c14-11(15)10(12-8-3-4-8)7-1-5-9(6-2-7)13(16)17/h1-2,5-6,8,10,12H,3-4H2,(H,14,15)
InChIKeyGLAZSPDOELGQNK-UHFFFAOYSA-N
XLogP1.47
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-nitrophenyl)ethyl]cyclopropanamine
CID 43297230
(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
CID 14037273
2-cyclopentyl-2-(4-nitrophenyl)acetic acid
CID 67078544
2,2-bis(4-nitrophenyl)acetic acid
CID 12768595
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid
CID 116857198
2-(3-acetamidopropylamino)-2-(4-nitrophenyl)acetic acid
CID 84747170
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
2-[1-[1-(4-nitrophenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684661
2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetic acid
CID 60998431
(2S)-2-[(4-nitrophenyl)carbamothioylamino]-2-phenylacetic acid
CID 175604373
2-[(3-formyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-nitrophenyl)acetic acid
CID 21453109

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid (CID 84747103) is 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid is O=C(O)C(NC1CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid?
The InChIKey is GLAZSPDOELGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-11(15)10(12-8-3-4-8)7-1-5-9(6-2-7)13(16)17/h1-2,5-6,8,10,12H,3-4H2,(H,14,15).
What are the key properties of 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid?
2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid has a molecular weight of 236.23 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid is sourced from PubChem (CID 84747103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).