(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid

C13H16ClNO4 — CID 10827030

IUPAC(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H](N)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-2-19-11(16)7-10(12(15)13(17)18)8-3-5-9(14)6-4-8/h3-6,10,12H,2,7,15H2,1H3,(H,17,18)/t10-,12-/m1/s1
InChIKeyWHWXXJHWRQVZNB-ZYHUDNBSSA-N
MW285.73 g/mol
LogP1.79
Rot. Bonds6

About (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid

(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid (PubChem CID 10827030) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid
PubChem CID10827030
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H](N)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-2-19-11(16)7-10(12(15)13(17)18)8-3-5-9(14)6-4-8/h3-6,10,12H,2,7,15H2,1H3,(H,17,18)/t10-,12-/m1/s1
InChIKeyWHWXXJHWRQVZNB-ZYHUDNBSSA-N
XLogP1.79
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
CID 11695630
ethyl 3-(4-chlorophenyl)-3-cyanopropanoate
CID 13074184
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (3S)-3-(4-chlorophenyl)pent-4-enoate
CID 154714131
4-amino-3-(4-chlorophenyl)hexanoic acid
CID 66099214
2-amino-3-(4-chlorophenyl)butanoic acid
CID 12743550
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
ethyl 6-amino-6-(4-chlorophenyl)hexanoate
CID 60860824
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
2-[(1S)-1-(4-chlorophenyl)propyl]propanedioic acid
CID 902051

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid?
The IUPAC name of (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid (CID 10827030) is (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid?
The canonical SMILES for (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid is CCOC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H](N)C(=O)O.
What is the InChIKey of (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid?
The InChIKey is WHWXXJHWRQVZNB-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-2-19-11(16)7-10(12(15)13(17)18)8-3-5-9(14)6-4-8/h3-6,10,12H,2,7,15H2,1H3,(H,17,18)/t10-,12-/m1/s1.
What are the key properties of (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid?
(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid has a molecular weight of 285.73 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid is sourced from PubChem (CID 10827030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).