2-amino-3-(4-hydroxyphenyl)propanoic acid;urea

C10H15N3O4 — CID 18402054

IUPAC2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
SMILESNC(Cc1ccc(O)cc1)C(=O)O.NC(N)=O
InChIInChI=1S/C9H11NO3.CH4N2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;2-1(3)4/h1-4,8,11H,5,10H2,(H,12,13);(H4,2,3,4)
InChIKeyWPUICLBXMUNOGW-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.63
Rot. Bonds3

About 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea

2-amino-3-(4-hydroxyphenyl)propanoic acid;urea (PubChem CID 18402054) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
PubChem CID18402054
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
SMILESNC(Cc1ccc(O)cc1)C(=O)O.NC(N)=O
InChIInChI=1S/C9H11NO3.CH4N2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;2-1(3)4/h1-4,8,11H,5,10H2,(H,12,13);(H4,2,3,4)
InChIKeyWPUICLBXMUNOGW-UHFFFAOYSA-N
XLogP-0.63
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
bis(2-amino-3-(4-hydroxyphenyl)propanamide);2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 67902185
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;carbamodithioic acid
CID 174727154
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea (CID 18402054) is 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea is NC(Cc1ccc(O)cc1)C(=O)O.NC(N)=O.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea?
The InChIKey is WPUICLBXMUNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.CH4N2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;2-1(3)4/h1-4,8,11H,5,10H2,(H,12,13);(H4,2,3,4).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea?
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea has a molecular weight of 241.25 g/mol, XLogP of -0.63, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)propanoic acid;urea is sourced from PubChem (CID 18402054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).