methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate

C14H18N2O3 — CID 66173088

IUPACmethyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
SMILESCOC(=O)C(C)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-9(14(18)19-2)15-11-4-3-5-12(8-11)16-13(17)10-6-7-10/h3-5,8-10,15H,6-7H2,1-2H3,(H,16,17)
InChIKeySJNNEWLHSWVQHU-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.01
Rot. Bonds5

About methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate

methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate (PubChem CID 66173088) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
PubChem CID66173088
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
SMILESCOC(=O)C(C)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-9(14(18)19-2)15-11-4-3-5-12(8-11)16-13(17)10-6-7-10/h3-5,8-10,15H,6-7H2,1-2H3,(H,16,17)
InChIKeySJNNEWLHSWVQHU-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
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N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61250751
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 55571147
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60999470
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate?
The IUPAC name of methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate (CID 66173088) is methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate.
What is the SMILES notation for methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate?
The canonical SMILES for methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate is COC(=O)C(C)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate?
The InChIKey is SJNNEWLHSWVQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(14(18)19-2)15-11-4-3-5-12(8-11)16-13(17)10-6-7-10/h3-5,8-10,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate?
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate has a molecular weight of 262.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate is sourced from PubChem (CID 66173088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).