(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid

C19H21NO5 — CID 119372492

IUPAC(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
SMILESCCCOc1ccc(OCC(=O)N[C@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c1-2-12-24-15-8-10-16(11-9-15)25-13-17(21)20-18(19(22)23)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,20,21)(H,22,23)/t18-/m0/s1
InChIKeyCOHMQEZKRWCAJE-SFHVURJKSA-N
MW343.38 g/mol
LogP2.80
Rot. Bonds9

About (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid

(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid (PubChem CID 119372492) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
PubChem CID119372492
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
SMILESCCCOc1ccc(OCC(=O)N[C@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c1-2-12-24-15-8-10-16(11-9-15)25-13-17(21)20-18(19(22)23)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,20,21)(H,22,23)/t18-/m0/s1
InChIKeyCOHMQEZKRWCAJE-SFHVURJKSA-N
XLogP2.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide
CID 56807568
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
CID 43171869
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
CID 119372482
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
CID 43358417
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid?
The IUPAC name of (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid (CID 119372492) is (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid is CCCOc1ccc(OCC(=O)N[C@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid?
The InChIKey is COHMQEZKRWCAJE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO5/c1-2-12-24-15-8-10-16(11-9-15)25-13-17(21)20-18(19(22)23)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,20,21)(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid?
(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 119372492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).