2-[(4-chlorophenyl)carbamoylamino]acetic acid

C9H9ClN2O3 — CID 16769917

IUPAC2-[(4-chlorophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O3/c10-6-1-3-7(4-2-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15)
InChIKeyRFHMXKFYEJYINJ-UHFFFAOYSA-N
MW228.63 g/mol
LogP1.55
Rot. Bonds3

About 2-[(4-chlorophenyl)carbamoylamino]acetic acid

2-[(4-chlorophenyl)carbamoylamino]acetic acid (PubChem CID 16769917) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]acetic acid
PubChem CID16769917
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O3/c10-6-1-3-7(4-2-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15)
InChIKeyRFHMXKFYEJYINJ-UHFFFAOYSA-N
XLogP1.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]acetic acid (CID 16769917) is 2-[(4-chlorophenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]acetic acid is O=C(O)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]acetic acid?
The InChIKey is RFHMXKFYEJYINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-6-1-3-7(4-2-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]acetic acid?
2-[(4-chlorophenyl)carbamoylamino]acetic acid has a molecular weight of 228.63 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 16769917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).