methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate

C14H20N2O3 — CID 63108007

IUPACmethyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C14H20N2O3/c1-10(2)16-12-7-5-4-6-11(12)14(18)15-9-8-13(17)19-3/h4-7,10,16H,8-9H2,1-3H3,(H,15,18)
InChIKeyZISJWVITMOUZGV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds6

About methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate

methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate (PubChem CID 63108007) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
PubChem CID63108007
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C14H20N2O3/c1-10(2)16-12-7-5-4-6-11(12)14(18)15-9-8-13(17)19-3/h4-7,10,16H,8-9H2,1-3H3,(H,15,18)
InChIKeyZISJWVITMOUZGV-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
CID 63107810
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108513
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
CID 106340243
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate (CID 63108007) is methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate is COC(=O)CCNC(=O)c1ccccc1NC(C)C.
What is the InChIKey of methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate?
The InChIKey is ZISJWVITMOUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)16-12-7-5-4-6-11(12)14(18)15-9-8-13(17)19-3/h4-7,10,16H,8-9H2,1-3H3,(H,15,18).
What are the key properties of methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate?
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 63108007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).