(2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide

C16H24N2O4 — CID 163068888

About (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide

(2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide (PubChem CID 163068888) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide
• PubChem CID: 163068888
• Molecular Formula: C16H24N2O4
• Molecular Weight: 308.38 g/mol
• Exact Mass: 308.17
• IUPAC Name: (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide
• SMILES: CC(C)NC[C@@H](O)C(=O)N[C@H](C)[C@H]1COc2ccccc2O1
• InChI: InChI=1S/C16H24N2O4/c1-10(2)17-8-12(19)16(20)18-11(3)15-9-21-13-6-4-5-7-14(13)22-15/h4-7,10-12,15,17,19H,8-9H2,1-3H3,(H,18,20)/t11-,12-,15-/m1/s1
• InChIKey: NOLYDRWVAQOLDK-LALPHHSUSA-N
• XLogP: 0.69
• TPSA: 79.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.38
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide?

The IUPAC name of (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide (CID 163068888) is (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide.

What is the SMILES notation for (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide?

The canonical SMILES for (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide is CC(C)NC[C@@H](O)C(=O)N[C@H](C)[C@H]1COc2ccccc2O1.

What is the InChIKey of (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide?

The InChIKey is NOLYDRWVAQOLDK-LALPHHSUSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10(2)17-8-12(19)16(20)18-11(3)15-9-21-13-6-4-5-7-14(13)22-15/h4-7,10-12,15,17,19H,8-9H2,1-3H3,(H,18,20)/t11-,12-,15-/m1/s1.

What are the key properties of (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide?

(2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide has a molecular weight of 308.38 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-hydroxy-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 163068888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).