methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate

C13H18N2O3 — CID 60640943

IUPACmethyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(C)C
InChIInChI=1S/C13H18N2O3/c1-9(2)14-8-12(16)15-11-7-5-4-6-10(11)13(17)18-3/h4-7,9,14H,8H2,1-3H3,(H,15,16)
InChIKeyCADGUWUTIXVPFZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.41
Rot. Bonds5

About methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate

methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate (PubChem CID 60640943) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
PubChem CID60640943
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(C)C
InChIInChI=1S/C13H18N2O3/c1-9(2)14-8-12(16)15-11-7-5-4-6-10(11)13(17)18-3/h4-7,9,14H,8H2,1-3H3,(H,15,16)
InChIKeyCADGUWUTIXVPFZ-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
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methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate
CID 9397461
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
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methyl 2-[3-(ethylamino)butanoylamino]benzoate
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methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate
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ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
methyl 2-[3-(butan-2-ylamino)propanoylamino]benzoate
CID 109013203
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
methyl 2-[[3-(butan-2-ylamino)-3-oxopropanoyl]amino]benzoate
CID 108941876
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796
methyl 2-[[3-[2,6-di(propan-2-yl)anilino]-3-oxopropanoyl]amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate (CID 60640943) is methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNC(C)C.
What is the InChIKey of methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate?
The InChIKey is CADGUWUTIXVPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)14-8-12(16)15-11-7-5-4-6-10(11)13(17)18-3/h4-7,9,14H,8H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate?
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate has a molecular weight of 250.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate is sourced from PubChem (CID 60640943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).