methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate

C15H21ClN2O2 — CID 107196244

IUPACmethyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate
SMILESCOC(=O)c1cc(N)cc(Cl)c1NC1C(C)(C)C1(C)C
InChIInChI=1S/C15H21ClN2O2/c1-14(2)13(15(14,3)4)18-11-9(12(19)20-5)6-8(17)7-10(11)16/h6-7,13,18H,17H2,1-5H3
InChIKeyBGSIWVZACQVIQG-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.56
Rot. Bonds3

About methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate

methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate (PubChem CID 107196244) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate
PubChem CID107196244
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Namemethyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate
SMILESCOC(=O)c1cc(N)cc(Cl)c1NC1C(C)(C)C1(C)C
InChIInChI=1S/C15H21ClN2O2/c1-14(2)13(15(14,3)4)18-11-9(12(19)20-5)6-8(17)7-10(11)16/h6-7,13,18H,17H2,1-5H3
InChIKeyBGSIWVZACQVIQG-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate with MolForge

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Related Compounds

methyl 5-amino-3-chloro-2-[(1-methylcyclopropyl)methylamino]benzoate
CID 114101734
methyl 5-amino-3-chloro-2-(2,6-dichloroanilino)benzoate
CID 107196135
methyl 5-amino-3-chloro-2-[(3-ethyl-2-methylcyclopentyl)amino]benzoate
CID 107196102
methyl 5-amino-3-chloro-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzoate
CID 107196169
methyl 5-amino-2-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-chlorobenzoate
CID 107193254
methyl 5-amino-3-chloro-2-iodobenzoate
CID 68764894
methyl 5-amino-3-chloro-2-(4-methoxybutylamino)benzoate
CID 107195444
methyl 5-amino-3-chloro-2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzoate
CID 107194963
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 5-amino-3-chloro-2-[2-(cyclopropanecarbonylamino)ethylamino]benzoate
CID 107196734
methyl 5-amino-3-chloro-2-[(2-ethoxy-2-methylpropyl)amino]benzoate
CID 107196914
methyl 5-amino-3-chloro-2-[[3-(dimethylamino)-3-oxopropyl]amino]benzoate
CID 107195482

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate?
The IUPAC name of methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate (CID 107196244) is methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate.
What is the SMILES notation for methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate?
The canonical SMILES for methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate is COC(=O)c1cc(N)cc(Cl)c1NC1C(C)(C)C1(C)C.
What is the InChIKey of methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate?
The InChIKey is BGSIWVZACQVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-14(2)13(15(14,3)4)18-11-9(12(19)20-5)6-8(17)7-10(11)16/h6-7,13,18H,17H2,1-5H3.
What are the key properties of methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate?
methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate has a molecular weight of 296.80 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoate is sourced from PubChem (CID 107196244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).