prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

C19H32N2O6 — CID 59877360

About prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate (PubChem CID 59877360) has the molecular formula C19H32N2O6 and a molecular weight of 384.47 g/mol. Its IUPAC name is prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate.

Molecular Properties

• Compound Name: prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
• PubChem CID: 59877360
• Molecular Formula: C19H32N2O6
• Molecular Weight: 384.47 g/mol
• Exact Mass: 384.23
• IUPAC Name: prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
• SMILES: C=CCOC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(C)=O)C(C)(C)C
• InChI: InChI=1S/C19H32N2O6/c1-9-10-26-14(23)11-13(20-17(25)27-19(6,7)8)16(24)21-15(12(2)22)18(3,4)5/h9,13,15H,1,10-11H2,2-8H3,(H,20,25)(H,21,24)/t13-,15-/m1/s1
• InChIKey: OYMNJQYYDJYUQS-UKRRQHHQSA-N
• XLogP: 2.12
• TPSA: 110.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.47
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate?

The IUPAC name of prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate (CID 59877360) is prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate.

What is the SMILES notation for prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate?

The canonical SMILES for prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate is C=CCOC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(C)=O)C(C)(C)C.

What is the InChIKey of prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate?

The InChIKey is OYMNJQYYDJYUQS-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H32N2O6/c1-9-10-26-14(23)11-13(20-17(25)27-19(6,7)8)16(24)21-15(12(2)22)18(3,4)5/h9,13,15H,1,10-11H2,2-8H3,(H,20,25)(H,21,24)/t13-,15-/m1/s1.

What are the key properties of prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate?

prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate has a molecular weight of 384.47 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl (3R)-4-[[(3S)-2,2-dimethyl-4-oxopentan-3-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate is sourced from PubChem (CID 59877360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).