(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid

C13H17NO4 — CID 119367809

IUPAC(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid
SMILESCCC(OC)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-3-10(18-2)12(15)14-11(13(16)17)9-7-5-4-6-8-9/h4-8,10-11H,3H2,1-2H3,(H,14,15)(H,16,17)/t10?,11-/m1/s1
InChIKeyIQOMFFXCZXCDSB-RRKGBCIJSA-N
MW251.28 g/mol
LogP1.35
Rot. Bonds6

About (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid

(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid (PubChem CID 119367809) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid
PubChem CID119367809
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid
SMILESCCC(OC)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-3-10(18-2)12(15)14-11(13(16)17)9-7-5-4-6-8-9/h4-8,10-11H,3H2,1-2H3,(H,14,15)(H,16,17)/t10?,11-/m1/s1
InChIKeyIQOMFFXCZXCDSB-RRKGBCIJSA-N
XLogP1.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543590
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61465982
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
4-[[carboxy(phenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498245
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetic acid
CID 103871039
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid (CID 119367809) is (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid is CCC(OC)C(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid?
The InChIKey is IQOMFFXCZXCDSB-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-10(18-2)12(15)14-11(13(16)17)9-7-5-4-6-8-9/h4-8,10-11H,3H2,1-2H3,(H,14,15)(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid?
(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid is sourced from PubChem (CID 119367809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).