methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate

C11H11ClN4O3 — CID 138737748

IUPACmethyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(Cl)cc1N=[N+]=[N-]
InChIInChI=1S/C11H11ClN4O3/c1-6(11(18)19-2)14-10(17)8-4-3-7(12)5-9(8)15-16-13/h3-6H,1-2H3,(H,14,17)
InChIKeySGRJDRDYKPDVHS-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.57
Rot. Bonds4

About methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate

methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate (PubChem CID 138737748) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate
PubChem CID138737748
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Namemethyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(Cl)cc1N=[N+]=[N-]
InChIInChI=1S/C11H11ClN4O3/c1-6(11(18)19-2)14-10(17)8-4-3-7(12)5-9(8)15-16-13/h3-6H,1-2H3,(H,14,17)
InChIKeySGRJDRDYKPDVHS-UHFFFAOYSA-N
XLogP2.57
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-4-chlorobenzenecarbothioamide
CID 169326578
propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate
CID 110191872
N-(2-azido-4-chlorophenyl)-2-methylpropanamide
CID 169325352
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 107015165
methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-3-methylbutanoate
CID 43408111
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
methyl (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61141421

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate (CID 138737748) is methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(Cl)cc1N=[N+]=[N-].
What is the InChIKey of methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate?
The InChIKey is SGRJDRDYKPDVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-6(11(18)19-2)14-10(17)8-4-3-7(12)5-9(8)15-16-13/h3-6H,1-2H3,(H,14,17).
What are the key properties of methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate?
methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate has a molecular weight of 282.69 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-azido-4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 138737748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).