(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

C27H29F3N4O4 — CID 90668114

IUPAC(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C1=O
InChIInChI=1S/C27H29F3N4O4/c1-16(2)13-22(24(35)33-37)34-12-11-26(31,25(34)36)18-7-9-19(10-8-18)38-15-17-14-23(27(28,29)30)32-21-6-4-3-5-20(17)21/h3-10,14,16,22,37H,11-13,15,31H2,1-2H3,(H,33,35)/t22-,26-/m1/s1
InChIKeyKQNNPPBFBXDAIH-ATIYNZHBSA-N
MW530.55 g/mol
LogP4.14
Rot. Bonds8

About (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (PubChem CID 90668114) has the molecular formula C27H29F3N4O4 and a molecular weight of 530.55 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
PubChem CID90668114
Molecular FormulaC27H29F3N4O4
Molecular Weight530.55 g/mol
Exact Mass530.21
IUPAC Name(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C1=O
InChIInChI=1S/C27H29F3N4O4/c1-16(2)13-22(24(35)33-37)34-12-11-26(31,25(34)36)18-7-9-19(10-8-18)38-15-17-14-23(27(28,29)30)32-21-6-4-3-5-20(17)21/h3-10,14,16,22,37H,11-13,15,31H2,1-2H3,(H,33,35)/t22-,26-/m1/s1
InChIKeyKQNNPPBFBXDAIH-ATIYNZHBSA-N
XLogP4.14
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.55
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (CID 90668114) is (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C1=O.
What is the InChIKey of (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The InChIKey is KQNNPPBFBXDAIH-ATIYNZHBSA-N. The full InChI is InChI=1S/C27H29F3N4O4/c1-16(2)13-22(24(35)33-37)34-12-11-26(31,25(34)36)18-7-9-19(10-8-18)38-15-17-14-23(27(28,29)30)32-21-6-4-3-5-20(17)21/h3-10,14,16,22,37H,11-13,15,31H2,1-2H3,(H,33,35)/t22-,26-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide has a molecular weight of 530.55 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-amino-2-oxo-3-[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 90668114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).