1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea

C11H15N3O2 — CID 62697958

IUPAC1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea
SMILESNc1ccc(O)c(CNC(=O)NC2CC2)c1
InChIInChI=1S/C11H15N3O2/c12-8-1-4-10(15)7(5-8)6-13-11(16)14-9-2-3-9/h1,4-5,9,15H,2-3,6,12H2,(H2,13,14,16)
InChIKeyYPXTXXJQVCDFNC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.94
Rot. Bonds3

About 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea

1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea (PubChem CID 62697958) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea
PubChem CID62697958
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea
SMILESNc1ccc(O)c(CNC(=O)NC2CC2)c1
InChIInChI=1S/C11H15N3O2/c12-8-1-4-10(15)7(5-8)6-13-11(16)14-9-2-3-9/h1,4-5,9,15H,2-3,6,12H2,(H2,13,14,16)
InChIKeyYPXTXXJQVCDFNC-UHFFFAOYSA-N
XLogP0.94
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
CID 61013606
N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
CID 60773770
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide
CID 81325159
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]azepane-1-carboxamide
CID 79152962
1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea
CID 43551130
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
CID 55104129
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
4-amino-2-[3-(cyclopropylamino)propyl]phenol
CID 84674547

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea?
The IUPAC name of 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea (CID 62697958) is 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea?
The canonical SMILES for 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea is Nc1ccc(O)c(CNC(=O)NC2CC2)c1.
What is the InChIKey of 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea?
The InChIKey is YPXTXXJQVCDFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-8-1-4-10(15)7(5-8)6-13-11(16)14-9-2-3-9/h1,4-5,9,15H,2-3,6,12H2,(H2,13,14,16).
What are the key properties of 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea?
1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea has a molecular weight of 221.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea is sourced from PubChem (CID 62697958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).