(2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid

C19H26ClNO5 — CID 57316317

IUPAC(2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid
SMILESC[C@@H]([C@@H](CCCc1ccc(Cl)cc1)C(=O)O)N(C=O)OC1CCCCO1
InChIInChI=1S/C19H26ClNO5/c1-14(21(13-22)26-18-7-2-3-12-25-18)17(19(23)24)6-4-5-15-8-10-16(20)11-9-15/h8-11,13-14,17-18H,2-7,12H2,1H3,(H,23,24)/t14-,17+,18?/m0/s1
InChIKeyWVLGQTBPFKSXCT-ZGRMHCKUSA-N
MW383.87 g/mol
LogP3.67
Rot. Bonds10

About (2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid

(2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid (PubChem CID 57316317) has the molecular formula C19H26ClNO5 and a molecular weight of 383.87 g/mol. Its IUPAC name is (2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid
PubChem CID57316317
Molecular FormulaC19H26ClNO5
Molecular Weight383.87 g/mol
Exact Mass383.15
IUPAC Name(2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid
SMILESC[C@@H]([C@@H](CCCc1ccc(Cl)cc1)C(=O)O)N(C=O)OC1CCCCO1
InChIInChI=1S/C19H26ClNO5/c1-14(21(13-22)26-18-7-2-3-12-25-18)17(19(23)24)6-4-5-15-8-10-16(20)11-9-15/h8-11,13-14,17-18H,2-7,12H2,1H3,(H,23,24)/t14-,17+,18?/m0/s1
InChIKeyWVLGQTBPFKSXCT-ZGRMHCKUSA-N
XLogP3.67
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid?
The IUPAC name of (2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid (CID 57316317) is (2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid.
What is the SMILES notation for (2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid?
The canonical SMILES for (2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid is C[C@@H]([C@@H](CCCc1ccc(Cl)cc1)C(=O)O)N(C=O)OC1CCCCO1.
What is the InChIKey of (2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid?
The InChIKey is WVLGQTBPFKSXCT-ZGRMHCKUSA-N. The full InChI is InChI=1S/C19H26ClNO5/c1-14(21(13-22)26-18-7-2-3-12-25-18)17(19(23)24)6-4-5-15-8-10-16(20)11-9-15/h8-11,13-14,17-18H,2-7,12H2,1H3,(H,23,24)/t14-,17+,18?/m0/s1.
What are the key properties of (2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid?
(2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid has a molecular weight of 383.87 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(4-chlorophenyl)-2-[(1S)-1-[formyl(oxan-2-yloxy)amino]ethyl]pentanoic acid is sourced from PubChem (CID 57316317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).