(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid

C14H20N2O5 — CID 125458568

About (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid

(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid (PubChem CID 125458568) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

• Compound Name: (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid
• PubChem CID: 125458568
• Molecular Formula: C14H20N2O5
• Molecular Weight: 296.32 g/mol
• Exact Mass: 296.14
• IUPAC Name: (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid
• SMILES: Cc1cccnc1[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C14H20N2O5/c1-8-6-5-7-15-9(8)11(17)10(12(18)19)16-13(20)21-14(2,3)4/h5-7,10-11,17H,1-4H3,(H,16,20)(H,18,19)/t10-,11-/m1/s1
• InChIKey: SPJQHHMTNAHLFY-GHMZBOCLSA-N
• XLogP: 1.40
• TPSA: 108.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.32
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid?

The IUPAC name of (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid (CID 125458568) is (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid.

What is the SMILES notation for (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid?

The canonical SMILES for (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid is Cc1cccnc1[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O.

What is the InChIKey of (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid?

The InChIKey is SPJQHHMTNAHLFY-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8-6-5-7-15-9(8)11(17)10(12(18)19)16-13(20)21-14(2,3)4/h5-7,10-11,17H,1-4H3,(H,16,20)(H,18,19)/t10-,11-/m1/s1.

What are the key properties of (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid?

(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 125458568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).