(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid

C12H15NO4 — CID 134819868

IUPAC(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid
SMILESCOc1ccc(C(=O)CC[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-17-9-4-2-8(3-5-9)11(14)7-6-10(13)12(15)16/h2-5,10H,6-7,13H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyQUWPIQTXMGFCRB-SNVBAGLBSA-N
MW237.26 g/mol
LogP1.07
Rot. Bonds6

About (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid

(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid (PubChem CID 134819868) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid
PubChem CID134819868
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid
SMILESCOc1ccc(C(=O)CC[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-17-9-4-2-8(3-5-9)11(14)7-6-10(13)12(15)16/h2-5,10H,6-7,13H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyQUWPIQTXMGFCRB-SNVBAGLBSA-N
XLogP1.07
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 10867909
(2S)-2-aminopentanedioic acid;anisole
CID 70447699
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
(2S)-2-aminopentanedioic acid;2-(4-methoxyphenyl)ethanamine
CID 3045698
4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
CID 15310595
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
2-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120688356
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
bis[3-(4-methoxyphenyl)-3-oxopropyl]-methylazanium chloride
CID 11760996
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid?
The IUPAC name of (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid (CID 134819868) is (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid is COc1ccc(C(=O)CC[C@@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid?
The InChIKey is QUWPIQTXMGFCRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO4/c1-17-9-4-2-8(3-5-9)11(14)7-6-10(13)12(15)16/h2-5,10H,6-7,13H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid?
(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid is sourced from PubChem (CID 134819868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).