3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide

C13H18N2O2 — CID 66644721

IUPAC3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
SMILESNC(Cc1ccccc1)C(O)C(=O)NC1CC1
InChIInChI=1S/C13H18N2O2/c14-11(8-9-4-2-1-3-5-9)12(16)13(17)15-10-6-7-10/h1-5,10-12,16H,6-8,14H2,(H,15,17)
InChIKeyAOWQRSBWEZCZSQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.20
Rot. Bonds5

About 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide

3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide (PubChem CID 66644721) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
PubChem CID66644721
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
SMILESNC(Cc1ccccc1)C(O)C(=O)NC1CC1
InChIInChI=1S/C13H18N2O2/c14-11(8-9-4-2-1-3-5-9)12(16)13(17)15-10-6-7-10/h1-5,10-12,16H,6-8,14H2,(H,15,17)
InChIKeyAOWQRSBWEZCZSQ-UHFFFAOYSA-N
XLogP0.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide?
The IUPAC name of 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide (CID 66644721) is 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide is NC(Cc1ccccc1)C(O)C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide?
The InChIKey is AOWQRSBWEZCZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11(8-9-4-2-1-3-5-9)12(16)13(17)15-10-6-7-10/h1-5,10-12,16H,6-8,14H2,(H,15,17).
What are the key properties of 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide?
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 66644721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).