(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid

C12H15NO5 — CID 80750625

IUPAC(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
SMILESCOC(C(=O)N[C@H](CO)C(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO5/c1-18-10(8-5-3-2-4-6-8)11(15)13-9(7-14)12(16)17/h2-6,9-10,14H,7H2,1H3,(H,13,15)(H,16,17)/t9-,10?/m1/s1
InChIKeyFJUNGLXBDKYGPM-YHMJZVADSA-N
MW253.25 g/mol
LogP-0.06
Rot. Bonds6

About (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid (PubChem CID 80750625) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
PubChem CID80750625
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
SMILESCOC(C(=O)N[C@H](CO)C(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO5/c1-18-10(8-5-3-2-4-6-8)11(15)13-9(7-14)12(16)17/h2-6,9-10,14H,7H2,1H3,(H,13,15)(H,16,17)/t9-,10?/m1/s1
InChIKeyFJUNGLXBDKYGPM-YHMJZVADSA-N
XLogP-0.06
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-sulfopropanoic acid
CID 89123823
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 107144006
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid
CID 61157194
N-(2-amino-1-phenylethyl)-2-methoxy-2-phenylacetamide
CID 63755766
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
CID 63753357
N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 110026135
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
N-(4-anilinophenyl)-2-methoxy-2-phenylacetamide
CID 75415396

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid (CID 80750625) is (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid is COC(C(=O)N[C@H](CO)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
The InChIKey is FJUNGLXBDKYGPM-YHMJZVADSA-N. The full InChI is InChI=1S/C12H15NO5/c1-18-10(8-5-3-2-4-6-8)11(15)13-9(7-14)12(16)17/h2-6,9-10,14H,7H2,1H3,(H,13,15)(H,16,17)/t9-,10?/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid has a molecular weight of 253.25 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 80750625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).