N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide

C11H14N2O3 — CID 107726425

IUPACN-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide
SMILESNCC1(NC(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C11H14N2O3/c12-6-11(3-4-11)13-10(16)8-5-7(14)1-2-9(8)15/h1-2,5,14-15H,3-4,6,12H2,(H,13,16)
InChIKeyHKVVCQYUKNZEFI-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.32
Rot. Bonds3

About N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide

N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide (PubChem CID 107726425) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide
PubChem CID107726425
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide
SMILESNCC1(NC(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C11H14N2O3/c12-6-11(3-4-11)13-10(16)8-5-7(14)1-2-9(8)15/h1-2,5,14-15H,3-4,6,12H2,(H,13,16)
InChIKeyHKVVCQYUKNZEFI-UHFFFAOYSA-N
XLogP0.32
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[1-(bromomethyl)cyclopropyl]-2,5-dihydroxybenzamide
CID 107726184
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
N-[1-(bromomethyl)-3-methylcyclohexyl]-2,5-dihydroxybenzamide
CID 107726052
5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide
CID 107730507
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 63767056
N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63756003
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide (CID 107726425) is N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide is NCC1(NC(=O)c2cc(O)ccc2O)CC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide?
The InChIKey is HKVVCQYUKNZEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-6-11(3-4-11)13-10(16)8-5-7(14)1-2-9(8)15/h1-2,5,14-15H,3-4,6,12H2,(H,13,16).
What are the key properties of N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide?
N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide has a molecular weight of 222.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopropyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107726425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).