2-(carbamoylamino)-2-phenylacetic acid

C9H10N2O3 — CID 4525385

IUPAC2-(carbamoylamino)-2-phenylacetic acid
SMILESNC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C9H10N2O3/c10-9(14)11-7(8(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)(H3,10,11,14)
InChIKeyGIOUOHDKHHZWIQ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.48
Rot. Bonds3

About 2-(carbamoylamino)-2-phenylacetic acid

2-(carbamoylamino)-2-phenylacetic acid (PubChem CID 4525385) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(carbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-2-phenylacetic acid
PubChem CID4525385
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(carbamoylamino)-2-phenylacetic acid
SMILESNC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C9H10N2O3/c10-9(14)11-7(8(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)(H3,10,11,14)
InChIKeyGIOUOHDKHHZWIQ-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-2-phenylacetic acid?
The IUPAC name of 2-(carbamoylamino)-2-phenylacetic acid (CID 4525385) is 2-(carbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(carbamoylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(carbamoylamino)-2-phenylacetic acid is NC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-2-phenylacetic acid?
The InChIKey is GIOUOHDKHHZWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-9(14)11-7(8(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)(H3,10,11,14).
What are the key properties of 2-(carbamoylamino)-2-phenylacetic acid?
2-(carbamoylamino)-2-phenylacetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 4525385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).