methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate

C10H14N4O4 — CID 80897344

IUPACmethyl 2-(3-hydrazinyl-2-nitroanilino)propanoate
SMILESCOC(=O)C(C)Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-6(10(15)18-2)12-7-4-3-5-8(13-11)9(7)14(16)17/h3-6,12-13H,11H2,1-2H3
InChIKeyRDMNHWASJDWDMQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.85
Rot. Bonds5

About methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate

methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate (PubChem CID 80897344) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-hydrazinyl-2-nitroanilino)propanoate
PubChem CID80897344
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Namemethyl 2-(3-hydrazinyl-2-nitroanilino)propanoate
SMILESCOC(=O)C(C)Nc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-6(10(15)18-2)12-7-4-3-5-8(13-11)9(7)14(16)17/h3-6,12-13H,11H2,1-2H3
InChIKeyRDMNHWASJDWDMQ-UHFFFAOYSA-N
XLogP0.85
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-fluoro-2-nitroanilino)propanoate
CID 60790084
N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline
CID 80906458
methyl 2-(4-bromo-3-chloro-2-nitroanilino)propanoate
CID 162524603
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
CID 80897164
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
methyl 2-[3-(ethylamino)-2-nitroanilino]-3-methylbutanoate
CID 80791120
3-(3-hydrazinyl-2-nitroanilino)-2-methylsulfanylbutan-1-ol
CID 106163685
3-N-(3-hydrazinyl-2-nitrophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904449
N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline
CID 80901418
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate?
The IUPAC name of methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate (CID 80897344) is methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate.
What is the SMILES notation for methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate?
The canonical SMILES for methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate is COC(=O)C(C)Nc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate?
The InChIKey is RDMNHWASJDWDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-6(10(15)18-2)12-7-4-3-5-8(13-11)9(7)14(16)17/h3-6,12-13H,11H2,1-2H3.
What are the key properties of methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate?
methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate has a molecular weight of 254.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydrazinyl-2-nitroanilino)propanoate is sourced from PubChem (CID 80897344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).