(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid

C14H17NO4 — CID 67951060

IUPAC(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid
SMILESC=Cc1ccc(COC(=O)CC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-2-10-3-5-11(6-4-10)9-19-13(16)8-7-12(15)14(17)18/h2-6,12H,1,7-9,15H2,(H,17,18)/t12-/m0/s1
InChIKeyKVZIMBMOOLHFSN-LBPRGKRZSA-N
MW263.29 g/mol
LogP1.56
Rot. Bonds7

About (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid

(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid (PubChem CID 67951060) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid
PubChem CID67951060
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid
SMILESC=Cc1ccc(COC(=O)CC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-2-10-3-5-11(6-4-10)9-19-13(16)8-7-12(15)14(17)18/h2-6,12H,1,7-9,15H2,(H,17,18)/t12-/m0/s1
InChIKeyKVZIMBMOOLHFSN-LBPRGKRZSA-N
XLogP1.56
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-[(4-ethenylphenyl)methoxy]-4-oxobutanoic acid
CID 102125035
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
(4-ethenylphenyl)methyl 5-phenylpentanoate
CID 102362530
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
(4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 123196272
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid
CID 153255398
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
(4-ethenylphenyl)methyl (4S)-4-(butan-2-ylamino)-6-methyl-5-oxo-7-(sulfanylamino)heptanoate
CID 135243274
benzyl (4S)-4-amino-6-methyl-5-oxoheptanoate
CID 126547548
bis[(4-methoxyphenyl)methyl] 2-aminopentanedioate;hydrochloride
CID 155891056
benzyl 4-amino-5-oxooctanoate
CID 123170480

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid (CID 67951060) is (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid is C=Cc1ccc(COC(=O)CC[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid?
The InChIKey is KVZIMBMOOLHFSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-10-3-5-11(6-4-10)9-19-13(16)8-7-12(15)14(17)18/h2-6,12H,1,7-9,15H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid?
(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid is sourced from PubChem (CID 67951060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).