cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate

C32H39N3O4 — CID 67445685

IUPACcyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
SMILESCc1ccc(C(=O)c2ccc(=O)n(-c3ccc(CCN[C@H](CC(C)C)C(=O)OC4CCCC4)cc3)c2N)cc1
InChIInChI=1S/C32H39N3O4/c1-21(2)20-28(32(38)39-26-6-4-5-7-26)34-19-18-23-10-14-25(15-11-23)35-29(36)17-16-27(31(35)33)30(37)24-12-8-22(3)9-13-24/h8-17,21,26,28,34H,4-7,18-20,33H2,1-3H3/t28-/m1/s1
InChIKeyMKOOHUXIWXJEEL-MUUNZHRXSA-N
MW529.68 g/mol
LogP4.99
Rot. Bonds11

About cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate

cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate (PubChem CID 67445685) has the molecular formula C32H39N3O4 and a molecular weight of 529.68 g/mol. Its IUPAC name is cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate.

Molecular Properties

Compound Namecyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
PubChem CID67445685
Molecular FormulaC32H39N3O4
Molecular Weight529.68 g/mol
Exact Mass529.29
IUPAC Namecyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
SMILESCc1ccc(C(=O)c2ccc(=O)n(-c3ccc(CCN[C@H](CC(C)C)C(=O)OC4CCCC4)cc3)c2N)cc1
InChIInChI=1S/C32H39N3O4/c1-21(2)20-28(32(38)39-26-6-4-5-7-26)34-19-18-23-10-14-25(15-11-23)35-29(36)17-16-27(31(35)33)30(37)24-12-8-22(3)9-13-24/h8-17,21,26,28,34H,4-7,18-20,33H2,1-3H3/t28-/m1/s1
InChIKeyMKOOHUXIWXJEEL-MUUNZHRXSA-N
XLogP4.99
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.68
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate?
The IUPAC name of cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate (CID 67445685) is cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate.
What is the SMILES notation for cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate?
The canonical SMILES for cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate is Cc1ccc(C(=O)c2ccc(=O)n(-c3ccc(CCN[C@H](CC(C)C)C(=O)OC4CCCC4)cc3)c2N)cc1.
What is the InChIKey of cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate?
The InChIKey is MKOOHUXIWXJEEL-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H39N3O4/c1-21(2)20-28(32(38)39-26-6-4-5-7-26)34-19-18-23-10-14-25(15-11-23)35-29(36)17-16-27(31(35)33)30(37)24-12-8-22(3)9-13-24/h8-17,21,26,28,34H,4-7,18-20,33H2,1-3H3/t28-/m1/s1.
What are the key properties of cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate?
cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate has a molecular weight of 529.68 g/mol, XLogP of 4.99, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate is sourced from PubChem (CID 67445685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).