(2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

C21H24N2O5 — CID 16591629

IUPAC(2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOc1ccc(C(=O)N[C@H](C(=O)OC(C(N)=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H24N2O5/c1-13(2)17(23-20(25)15-9-11-16(27-3)12-10-15)21(26)28-18(19(22)24)14-7-5-4-6-8-14/h4-13,17-18H,1-3H3,(H2,22,24)(H,23,25)/t17-,18?/m0/s1
InChIKeyBBTZIXNRWHOEKU-ZENAZSQFSA-N
MW384.43 g/mol
LogP2.22
Rot. Bonds8

About (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

(2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate (PubChem CID 16591629) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
PubChem CID16591629
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name(2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOc1ccc(C(=O)N[C@H](C(=O)OC(C(N)=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H24N2O5/c1-13(2)17(23-20(25)15-9-11-16(27-3)12-10-15)21(26)28-18(19(22)24)14-7-5-4-6-8-14/h4-13,17-18H,1-3H3,(H2,22,24)(H,23,25)/t17-,18?/m0/s1
InChIKeyBBTZIXNRWHOEKU-ZENAZSQFSA-N
XLogP2.22
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate with MolForge

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Related Compounds

(2-amino-2-oxo-1-phenylethyl) (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 16591675
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
[(1R)-1-(2-chlorophenyl)ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568605
(2-amino-2-oxoethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568293
(4-acetylphenyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 9138538
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55390523
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
(2-bromophenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568597
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
methyl (2S,3R)-3-hydroxy-2-[(4-methoxybenzoyl)amino]butanoate
CID 11230931

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate (CID 16591629) is (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate is COc1ccc(C(=O)N[C@H](C(=O)OC(C(N)=O)c2ccccc2)C(C)C)cc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
The InChIKey is BBTZIXNRWHOEKU-ZENAZSQFSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13(2)17(23-20(25)15-9-11-16(27-3)12-10-15)21(26)28-18(19(22)24)14-7-5-4-6-8-14/h4-13,17-18H,1-3H3,(H2,22,24)(H,23,25)/t17-,18?/m0/s1.
What are the key properties of (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
(2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate has a molecular weight of 384.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 16591629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).