methyl 2-(5-amino-2-methylanilino)propanoate

C11H16N2O2 — CID 62590331

IUPACmethyl 2-(5-amino-2-methylanilino)propanoate
SMILESCOC(=O)C(C)Nc1cc(N)ccc1C
InChIInChI=1S/C11H16N2O2/c1-7-4-5-9(12)6-10(7)13-8(2)11(14)15-3/h4-6,8,13H,12H2,1-3H3
InChIKeyYQBCHIIFANFJOH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds3

About methyl 2-(5-amino-2-methylanilino)propanoate

methyl 2-(5-amino-2-methylanilino)propanoate (PubChem CID 62590331) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-(5-amino-2-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-amino-2-methylanilino)propanoate
PubChem CID62590331
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-(5-amino-2-methylanilino)propanoate
SMILESCOC(=O)C(C)Nc1cc(N)ccc1C
InChIInChI=1S/C11H16N2O2/c1-7-4-5-9(12)6-10(7)13-8(2)11(14)15-3/h4-6,8,13H,12H2,1-3H3
InChIKeyYQBCHIIFANFJOH-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(5-acetamido-2-methylanilino)propanoate
CID 66174130
4-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590491
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
methyl 2-(3-acetamido-4-methylanilino)propanoate
CID 66171717
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
methyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoate
CID 66174126
3-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzene-1,3-diamine
CID 65047711
3-N-(4-methoxybutan-2-yl)-4-methylbenzene-1,3-diamine
CID 64600487
3-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 66195446
methyl 3-(5-amino-2-methylphenyl)-2-methylpropanoate
CID 84675387

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-2-methylanilino)propanoate?
The IUPAC name of methyl 2-(5-amino-2-methylanilino)propanoate (CID 62590331) is methyl 2-(5-amino-2-methylanilino)propanoate.
What is the SMILES notation for methyl 2-(5-amino-2-methylanilino)propanoate?
The canonical SMILES for methyl 2-(5-amino-2-methylanilino)propanoate is COC(=O)C(C)Nc1cc(N)ccc1C.
What is the InChIKey of methyl 2-(5-amino-2-methylanilino)propanoate?
The InChIKey is YQBCHIIFANFJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-4-5-9(12)6-10(7)13-8(2)11(14)15-3/h4-6,8,13H,12H2,1-3H3.
What are the key properties of methyl 2-(5-amino-2-methylanilino)propanoate?
methyl 2-(5-amino-2-methylanilino)propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-2-methylanilino)propanoate is sourced from PubChem (CID 62590331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).