3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide

C13H18N2O2 — CID 114153579

IUPAC3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccccc1C1CC1
InChIInChI=1S/C13H18N2O2/c14-13(17)12(16)8-15-7-10-3-1-2-4-11(10)9-5-6-9/h1-4,9,12,15-16H,5-8H2,(H2,14,17)
InChIKeyOLOAWGWIMZMGEE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.50
Rot. Bonds6

About 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide

3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide (PubChem CID 114153579) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide
PubChem CID114153579
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccccc1C1CC1
InChIInChI=1S/C13H18N2O2/c14-13(17)12(16)8-15-7-10-3-1-2-4-11(10)9-5-6-9/h1-4,9,12,15-16H,5-8H2,(H2,14,17)
InChIKeyOLOAWGWIMZMGEE-UHFFFAOYSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide (CID 114153579) is 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide is NC(=O)C(O)CNCc1ccccc1C1CC1.
What is the InChIKey of 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide?
The InChIKey is OLOAWGWIMZMGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(17)12(16)8-15-7-10-3-1-2-4-11(10)9-5-6-9/h1-4,9,12,15-16H,5-8H2,(H2,14,17).
What are the key properties of 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide?
3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide has a molecular weight of 234.30 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylphenyl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 114153579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).