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

C9H10N2O4 — CID 578941

IUPAC2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid
SMILESNC(=O)NC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)
InChIKeyGSHIDXLOTQDUAV-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.19
Rot. Bonds3

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

2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid (PubChem CID 578941) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid
PubChem CID578941
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid
SMILESNC(=O)NC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)
InChIKeyGSHIDXLOTQDUAV-UHFFFAOYSA-N
XLogP0.19
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-L-tyrosine
CID 68310
Oxfenicine
CID 36143
4-Hydroxyhippuric acid
CID 151012
Glycyl-L-tyrosine
CID 92829
L-Alanyl-L-tyrosine
CID 92946
D-p-hydroxyphenylglycine
CID 89853
4-Hydroxyphenylglycine
CID 92143
Kyotorphin
CID 123804
Tyr-Ala
CID 5496455
Val-Tyr
CID 7009555
Lys-Tyr
CID 7021820
4-Hydroxyphenylacetylglycine
CID 440732

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid (CID 578941) is 2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid is NC(=O)NC(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is GSHIDXLOTQDUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15).
What are the key properties of 2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid?
2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 210.19 g/mol, XLogP of 0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 578941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).