N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide

C13H16N2O4 — CID 155951860

IUPACN-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide
SMILESNC(=O)CC1(CNC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C13H16N2O4/c14-11(18)6-13(3-4-13)7-15-12(19)9-2-1-8(16)5-10(9)17/h1-2,5,16-17H,3-4,6-7H2,(H2,14,18)(H,15,19)
InChIKeySISNBGYDWCLHHN-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.48
Rot. Bonds5

About N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide

N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide (PubChem CID 155951860) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide
PubChem CID155951860
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide
SMILESNC(=O)CC1(CNC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C13H16N2O4/c14-11(18)6-13(3-4-13)7-15-12(19)9-2-1-8(16)5-10(9)17/h1-2,5,16-17H,3-4,6-7H2,(H2,14,18)(H,15,19)
InChIKeySISNBGYDWCLHHN-UHFFFAOYSA-N
XLogP0.48
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993294
2,4-dihydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742421
4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
CID 113251997
2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 103759085
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,3-dihydroxybenzamide
CID 114345330
N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
CID 107722057
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
CID 107017112
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677755
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide (CID 155951860) is N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide is NC(=O)CC1(CNC(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide?
The InChIKey is SISNBGYDWCLHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-11(18)6-13(3-4-13)7-15-12(19)9-2-1-8(16)5-10(9)17/h1-2,5,16-17H,3-4,6-7H2,(H2,14,18)(H,15,19).
What are the key properties of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide?
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide has a molecular weight of 264.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 155951860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).