tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate

C13H17ClN2O3 — CID 140974829

IUPACtert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)19-11(17)8-15-12(18)16-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H2,15,16,18)
InChIKeyIPIYBLYPBLTYLF-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate

tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate (PubChem CID 140974829) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
PubChem CID140974829
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Nametert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)19-11(17)8-15-12(18)16-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H2,15,16,18)
InChIKeyIPIYBLYPBLTYLF-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
CID 4789489
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
1-(2-tert-butylsulfanylethyl)-3-(3-chlorophenyl)urea
CID 3884756
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea
CID 110601749
1-(3-chlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
CID 103842379
2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide
CID 119053055
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734361
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate?
The IUPAC name of tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate (CID 140974829) is tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate?
The canonical SMILES for tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate is CC(C)(C)OC(=O)CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate?
The InChIKey is IPIYBLYPBLTYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(2,3)19-11(17)8-15-12(18)16-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H2,15,16,18).
What are the key properties of tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate?
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate has a molecular weight of 284.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate is sourced from PubChem (CID 140974829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).