4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid

C14H19NO4 — CID 120689719

IUPAC4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
SMILESCO[C@@H](C(=O)NCC(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(8-12(16)17)9-15-14(18)13(19-2)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t10?,13-/m1/s1
InChIKeyMNJQRVVZCVMUBV-JLOHTSLTSA-N
MW265.31 g/mol
LogP1.60
Rot. Bonds7

About 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid

4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid (PubChem CID 120689719) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
PubChem CID120689719
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
SMILESCO[C@@H](C(=O)NCC(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(8-12(16)17)9-15-14(18)13(19-2)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t10?,13-/m1/s1
InChIKeyMNJQRVVZCVMUBV-JLOHTSLTSA-N
XLogP1.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999
4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 81073197
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
CID 62653112
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
3-methyl-4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 66667433
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 103861914
N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid (CID 120689719) is 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid is CO[C@@H](C(=O)NCC(C)CC(=O)O)c1ccccc1.
What is the InChIKey of 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid?
The InChIKey is MNJQRVVZCVMUBV-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(8-12(16)17)9-15-14(18)13(19-2)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t10?,13-/m1/s1.
What are the key properties of 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid?
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 120689719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).