N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide

C12H16N2O2 — CID 115456719

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
SMILESNCC1(CNC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C12H16N2O2/c13-7-12(4-5-12)8-14-11(16)9-2-1-3-10(15)6-9/h1-3,6,15H,4-5,7-8,13H2,(H,14,16)
InChIKeyMDDPTTZTETUZKL-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.86
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide (PubChem CID 115456719) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
PubChem CID115456719
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
SMILESNCC1(CNC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C12H16N2O2/c13-7-12(4-5-12)8-14-11(16)9-2-1-3-10(15)6-9/h1-3,6,15H,4-5,7-8,13H2,(H,14,16)
InChIKeyMDDPTTZTETUZKL-UHFFFAOYSA-N
XLogP0.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
4-[[(3-hydroxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438410
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
N-ethyl-3-hydroxybenzamide
CID 13175248
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115271278
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
CID 114758864
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide (CID 115456719) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide is NCC1(CNC(=O)c2cccc(O)c2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide?
The InChIKey is MDDPTTZTETUZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-12(4-5-12)8-14-11(16)9-2-1-3-10(15)6-9/h1-3,6,15H,4-5,7-8,13H2,(H,14,16).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide has a molecular weight of 220.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide is sourced from PubChem (CID 115456719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).