propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate

C14H18N2O3 — CID 65466796

IUPACpropan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C14H18N2O3/c1-9(2)19-12(17)10-3-5-11(6-4-10)16-13(18)14(15)7-8-14/h3-6,9H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyZLYRTFLSTHDKCO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.68
Rot. Bonds4

About propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate

propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate (PubChem CID 65466796) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
PubChem CID65466796
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namepropan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C14H18N2O3/c1-9(2)19-12(17)10-3-5-11(6-4-10)16-13(18)14(15)7-8-14/h3-6,9H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyZLYRTFLSTHDKCO-UHFFFAOYSA-N
XLogP1.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79843320
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 119704508
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704507
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate
CID 61118465
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
propan-2-yl 4-(propan-2-ylcarbamothioylamino)benzoate
CID 8654493
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
propan-2-yl 4-[(4-amino-2-methylbutanoyl)amino]benzoate
CID 80543550

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate (CID 65466796) is propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)C2(N)CC2)cc1.
What is the InChIKey of propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate?
The InChIKey is ZLYRTFLSTHDKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)19-12(17)10-3-5-11(6-4-10)16-13(18)14(15)7-8-14/h3-6,9H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate?
propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate has a molecular weight of 262.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate is sourced from PubChem (CID 65466796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).