2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane

C19H33NO6 — CID 142141424

IUPAC2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane
SMILESC=O.CC.COC(C)(C)C.NC(CC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4.C5H12O.C2H6.CH2O/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8;1-5(2,3)6-4;2*1-2/h1-5,9H,6-7,12H2,(H,14,15);1-4H3;1-2H3;1H2
InChIKeyDSBURXYTMDBVAI-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.80
Rot. Bonds5

About 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane

2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane (PubChem CID 142141424) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane
PubChem CID142141424
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Name2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane
SMILESC=O.CC.COC(C)(C)C.NC(CC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4.C5H12O.C2H6.CH2O/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8;1-5(2,3)6-4;2*1-2/h1-5,9H,6-7,12H2,(H,14,15);1-4H3;1-2H3;1H2
InChIKeyDSBURXYTMDBVAI-UHFFFAOYSA-N
XLogP2.80
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-amino-3-methylpentanoate
CID 174893438
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
benzyl (3R)-3-hydroxy-4,4-dimethylpentanoate
CID 11207095
benzyl 3,3-dimethoxybutanoate
CID 134185532
1-O-benzyl 4-O-prop-2-enyl (2R)-2-aminobutanedioate
CID 11780340
(2S)-2-amino-4-[(4-ethenylphenyl)methoxy]-4-oxobutanoic acid
CID 102125035
benzyl (3S)-3-amino-4-(methylamino)-4-sulfanylidenebutanoate
CID 88908893
benzyl 3-hydroperoxy-4-phenylbutanoate;ethane;formaldehyde
CID 159883415
benzyl 3-amino-4-(2-methoxyethylamino)-4-oxobutanoate
CID 10016506
benzyl (3S)-3-aminopentanoate
CID 89472657
benzyl 3-amino-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxobutanoate
CID 70143300
4-O-benzyl 1-O-(2-phenylethyl) (2R)-2-aminobutanedioate
CID 125471458

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane?
The IUPAC name of 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane (CID 142141424) is 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane.
What is the SMILES notation for 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane?
The canonical SMILES for 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane is C=O.CC.COC(C)(C)C.NC(CC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane?
The InChIKey is DSBURXYTMDBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4.C5H12O.C2H6.CH2O/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8;1-5(2,3)6-4;2*1-2/h1-5,9H,6-7,12H2,(H,14,15);1-4H3;1-2H3;1H2.
What are the key properties of 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane?
2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane has a molecular weight of 371.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-4-phenylmethoxybutanoic acid;ethane;formaldehyde;2-methoxy-2-methylpropane is sourced from PubChem (CID 142141424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).