methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate

C11H13ClN2O3 — CID 3440134

IUPACmethyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-17-10(15)5-6-13-11(16)14-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H2,13,14,16)
InChIKeyQOFBJFXNWIGVCE-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.02
Rot. Bonds4

About methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate

methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate (PubChem CID 3440134) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
PubChem CID3440134
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Namemethyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-17-10(15)5-6-13-11(16)14-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H2,13,14,16)
InChIKeyQOFBJFXNWIGVCE-UHFFFAOYSA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
CID 61341694
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
2-chloro-5-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301290
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805492
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
1-(2-tert-butylsulfanylethyl)-3-(3-chlorophenyl)urea
CID 3884756
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
1-(2-azidoethyl)-3-(3-chlorophenyl)urea
CID 61342512
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate?
The IUPAC name of methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate (CID 3440134) is methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate is COC(=O)CCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate?
The InChIKey is QOFBJFXNWIGVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-17-10(15)5-6-13-11(16)14-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H2,13,14,16).
What are the key properties of methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate?
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate has a molecular weight of 256.69 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate is sourced from PubChem (CID 3440134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).