methyl 2-(N-aminoanilino)propanoate

C10H14N2O2 — CID 11159863

IUPACmethyl 2-(N-aminoanilino)propanoate
SMILESCOC(=O)C(C)N(N)c1ccccc1
InChIInChI=1S/C10H14N2O2/c1-8(10(13)14-2)12(11)9-6-4-3-5-7-9/h3-8H,11H2,1-2H3
InChIKeyAKQOXAPRGCKEHA-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.93
Rot. Bonds3

About methyl 2-(N-aminoanilino)propanoate

methyl 2-(N-aminoanilino)propanoate (PubChem CID 11159863) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(N-aminoanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(N-aminoanilino)propanoate
PubChem CID11159863
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 2-(N-aminoanilino)propanoate
SMILESCOC(=O)C(C)N(N)c1ccccc1
InChIInChI=1S/C10H14N2O2/c1-8(10(13)14-2)12(11)9-6-4-3-5-7-9/h3-8H,11H2,1-2H3
InChIKeyAKQOXAPRGCKEHA-UHFFFAOYSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-4-(N-[(2S)-1-methoxy-1-oxopropan-2-yl]anilino)-4-oxobutanoic acid
CID 18610669
methyl acetate;1-methyl-1-phenylhydrazine
CID 90706381
methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate
CID 19774442
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
(2S)-2-(N-methoxyanilino)propanoic acid
CID 54118972
methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate
CID 20578138
methyl 2-chloro-3-phenylbutanoate
CID 62225465
chloro-[(1-methoxy-1-oxopropan-2-yl)-phenoxyamino]-oxophosphanium
CID 87166920
methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
CID 76625736
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
CID 10752293
methyl 2-anilinopropanoate
CID 3417283
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-aminoanilino)propanoate?
The IUPAC name of methyl 2-(N-aminoanilino)propanoate (CID 11159863) is methyl 2-(N-aminoanilino)propanoate.
What is the SMILES notation for methyl 2-(N-aminoanilino)propanoate?
The canonical SMILES for methyl 2-(N-aminoanilino)propanoate is COC(=O)C(C)N(N)c1ccccc1.
What is the InChIKey of methyl 2-(N-aminoanilino)propanoate?
The InChIKey is AKQOXAPRGCKEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(10(13)14-2)12(11)9-6-4-3-5-7-9/h3-8H,11H2,1-2H3.
What are the key properties of methyl 2-(N-aminoanilino)propanoate?
methyl 2-(N-aminoanilino)propanoate has a molecular weight of 194.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-aminoanilino)propanoate is sourced from PubChem (CID 11159863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).