N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide

C13H17NO3 — CID 70849144

IUPACN-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
SMILESO=C(NCc1ccccc1)C(O)C(O)C1CC1
InChIInChI=1S/C13H17NO3/c15-11(10-6-7-10)12(16)13(17)14-8-9-4-2-1-3-5-9/h1-5,10-12,15-16H,6-8H2,(H,14,17)
InChIKeyRPHGTYIJBCEVKH-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.43
Rot. Bonds5

About N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide

N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide (PubChem CID 70849144) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide.

Molecular Properties

Compound NameN-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
PubChem CID70849144
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
SMILESO=C(NCc1ccccc1)C(O)C(O)C1CC1
InChIInChI=1S/C13H17NO3/c15-11(10-6-7-10)12(16)13(17)14-8-9-4-2-1-3-5-9/h1-5,10-12,15-16H,6-8H2,(H,14,17)
InChIKeyRPHGTYIJBCEVKH-UHFFFAOYSA-N
XLogP0.43
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
4-[[[(2R,3R)-4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 25003957
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
N-benzyl-3-cyclopropyl-2-methylpropanamide
CID 11218218
(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
methyl 4-[[[4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 68786677
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
CID 59636946
N-benzyl-2-methylpropanamide;methane
CID 160760567

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide?
The IUPAC name of N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide (CID 70849144) is N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide.
What is the SMILES notation for N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide?
The canonical SMILES for N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide is O=C(NCc1ccccc1)C(O)C(O)C1CC1.
What is the InChIKey of N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide?
The InChIKey is RPHGTYIJBCEVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11(10-6-7-10)12(16)13(17)14-8-9-4-2-1-3-5-9/h1-5,10-12,15-16H,6-8H2,(H,14,17).
What are the key properties of N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide?
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide has a molecular weight of 235.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide is sourced from PubChem (CID 70849144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).