benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate

C19H20N2O5 — CID 132580689

IUPACbenzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate
SMILESCOc1ccc(C(=O)N[C@@H](CC(N)=O)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O5/c1-25-15-9-7-14(8-10-15)18(23)21-16(11-17(20)22)19(24)26-12-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H2,20,22)(H,21,23)/t16-/m0/s1
InChIKeyFYGMXSPCXUHLET-INIZCTEOSA-N
MW356.38 g/mol
LogP1.41
Rot. Bonds8

About benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate

benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate (PubChem CID 132580689) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Namebenzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate
PubChem CID132580689
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namebenzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate
SMILESCOc1ccc(C(=O)N[C@@H](CC(N)=O)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O5/c1-25-15-9-7-14(8-10-15)18(23)21-16(11-17(20)22)19(24)26-12-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H2,20,22)(H,21,23)/t16-/m0/s1
InChIKeyFYGMXSPCXUHLET-INIZCTEOSA-N
XLogP1.41
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-amino-2-benzamido-4-oxobutanoate
CID 14420399
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
benzyl 2-[(4-methoxybenzoyl)amino]-3-oxo-3-phenylpropanoate
CID 44557729
dibenzyl (2S)-2-benzamidobutanedioate
CID 14420333
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-4-oxo-4-phenylmethoxybutanoic acid;hydrochloride
CID 175958288
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate
CID 46201346
(4-methoxyphenyl)methyl 4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
CID 23243405
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 98418794
benzyl 3-benzamido-4-oxopentanoate
CID 19261358
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate?
The IUPAC name of benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate (CID 132580689) is benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate.
What is the SMILES notation for benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate?
The canonical SMILES for benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate is COc1ccc(C(=O)N[C@@H](CC(N)=O)C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate?
The InChIKey is FYGMXSPCXUHLET-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-15-9-7-14(8-10-15)18(23)21-16(11-17(20)22)19(24)26-12-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H2,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate?
benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate has a molecular weight of 356.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate is sourced from PubChem (CID 132580689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).