(2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid

C15H21NO5 — CID 15384187

IUPAC(2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
SMILESCC(C)(C)OC(=O)COc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-13(17)9-20-11-6-4-10(5-7-11)8-12(16)14(18)19/h4-7,12H,8-9,16H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyHHYPPDMSKXEDOZ-LBPRGKRZSA-N
MW295.34 g/mol
LogP1.36
Rot. Bonds6

About (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid

(2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid (PubChem CID 15384187) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
PubChem CID15384187
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name(2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
SMILESCC(C)(C)OC(=O)COc1ccc(C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-13(17)9-20-11-6-4-10(5-7-11)8-12(16)14(18)19/h4-7,12H,8-9,16H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyHHYPPDMSKXEDOZ-LBPRGKRZSA-N
XLogP1.36
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid (CID 15384187) is (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid is CC(C)(C)OC(=O)COc1ccc(C[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid?
The InChIKey is HHYPPDMSKXEDOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,3)21-13(17)9-20-11-6-4-10(5-7-11)8-12(16)14(18)19/h4-7,12H,8-9,16H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid is sourced from PubChem (CID 15384187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).