2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid

C11H11ClN2O4 — CID 115469364

IUPAC2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H11ClN2O4/c12-7-3-4-9(14(17)18)8(5-7)13-10(11(15)16)6-1-2-6/h3-6,10,13H,1-2H2,(H,15,16)
InChIKeyRVDIHRZAXYKDQY-UHFFFAOYSA-N
MW270.67 g/mol
LogP2.52
Rot. Bonds5

About 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid

2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid (PubChem CID 115469364) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
PubChem CID115469364
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H11ClN2O4/c12-7-3-4-9(14(17)18)8(5-7)13-10(11(15)16)6-1-2-6/h3-6,10,13H,1-2H2,(H,15,16)
InChIKeyRVDIHRZAXYKDQY-UHFFFAOYSA-N
XLogP2.52
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.52
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

2-(4-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 62697134
2-[(5-chloro-2-nitrophenyl)methylamino]-2-cyclopropylacetic acid
CID 79580843
N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine
CID 113316435
2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
CID 103259308
2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid
CID 107636575
2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid
CID 62494148
2-(4-bromo-2-nitroanilino)-2-cyclohexylacetic acid
CID 63500765
5-(5-chloro-2-nitroanilino)hexanoic acid
CID 82846242
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
3-(5-chloro-2-nitroanilino)-2-methyl-3-oxopropanoic acid
CID 114897912
N-bromo-5-chloro-2-nitroaniline
CID 150892624
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
CID 55108001

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid (CID 115469364) is 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid is O=C(O)C(Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid?
The InChIKey is RVDIHRZAXYKDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-7-3-4-9(14(17)18)8(5-7)13-10(11(15)16)6-1-2-6/h3-6,10,13H,1-2H2,(H,15,16).
What are the key properties of 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid?
2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid has a molecular weight of 270.67 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid is sourced from PubChem (CID 115469364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).