2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid

C11H11ClN2O3 — CID 108906497

IUPAC2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)N/C=C/c1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O3/c12-9-3-1-2-8(6-9)4-5-13-11(17)14-7-10(15)16/h1-6H,7H2,(H,15,16)(H2,13,14,17)/b5-4+
InChIKeyNHCGIAYMBNMHLA-SNAWJCMRSA-N
MW254.67 g/mol
LogP1.69
Rot. Bonds4

About 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid

2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid (PubChem CID 108906497) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
PubChem CID108906497
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)N/C=C/c1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O3/c12-9-3-1-2-8(6-9)4-5-13-11(17)14-7-10(15)16/h1-6H,7H2,(H,15,16)(H2,13,14,17)/b5-4+
InChIKeyNHCGIAYMBNMHLA-SNAWJCMRSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid
CID 54448013
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906477
1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906751
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605
1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906770
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea
CID 108907128
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575
2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide
CID 144801292
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea
CID 108906521
5-(3-chlorophenyl)pent-4-enoic acid
CID 72993428
1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
CID 108906596

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid?
The IUPAC name of 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid (CID 108906497) is 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid.
What is the SMILES notation for 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid?
The canonical SMILES for 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid is O=C(O)CNC(=O)N/C=C/c1cccc(Cl)c1.
What is the InChIKey of 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid?
The InChIKey is NHCGIAYMBNMHLA-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-9-3-1-2-8(6-9)4-5-13-11(17)14-7-10(15)16/h1-6H,7H2,(H,15,16)(H2,13,14,17)/b5-4+.
What are the key properties of 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid?
2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid has a molecular weight of 254.67 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid is sourced from PubChem (CID 108906497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).