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

C9H9ClN2O3 — CID 12831064

IUPAC2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid
SMILESNC(=O)NC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O3/c10-6-3-1-5(2-4-6)7(8(13)14)12-9(11)15/h1-4,7H,(H,13,14)(H3,11,12,15)
InChIKeyWOAFBBXYPMMGLX-UHFFFAOYSA-N
MW228.64 g/mol
LogP1.13
Rot. Bonds3

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

2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid (PubChem CID 12831064) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.64 g/mol. Its IUPAC name is 2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid
PubChem CID12831064
Molecular FormulaC9H9ClN2O3
Molecular Weight228.64 g/mol
Exact Mass228.03
IUPAC Name2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid
SMILESNC(=O)NC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O3/c10-6-3-1-5(2-4-6)7(8(13)14)12-9(11)15/h1-4,7H,(H,13,14)(H3,11,12,15)
InChIKeyWOAFBBXYPMMGLX-UHFFFAOYSA-N
XLogP1.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid?
The IUPAC name of 2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid (CID 12831064) is 2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid?
The canonical SMILES for 2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid is NC(=O)NC(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid?
The InChIKey is WOAFBBXYPMMGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-6-3-1-5(2-4-6)7(8(13)14)12-9(11)15/h1-4,7H,(H,13,14)(H3,11,12,15).
What are the key properties of 2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid?
2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid has a molecular weight of 228.64 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 12831064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).