dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate

C24H28N2O6 — CID 11212841

IUPACdimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate
SMILESCCC[C@H](NC(=O)c1ccccc1)[C@H](C(=O)OC)[C@@H](NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C24H28N2O6/c1-4-11-18(25-21(27)16-12-7-5-8-13-16)19(23(29)31-2)20(24(30)32-3)26-22(28)17-14-9-6-10-15-17/h5-10,12-15,18-20H,4,11H2,1-3H3,(H,25,27)(H,26,28)/t18-,19-,20+/m0/s1
InChIKeyHYGIDYRLUOJQDI-SLFFLAALSA-N
MW440.50 g/mol
LogP2.35
Rot. Bonds10

About dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate

dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate (PubChem CID 11212841) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate
PubChem CID11212841
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Namedimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate
SMILESCCC[C@H](NC(=O)c1ccccc1)[C@H](C(=O)OC)[C@@H](NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C24H28N2O6/c1-4-11-18(25-21(27)16-12-7-5-8-13-16)19(23(29)31-2)20(24(30)32-3)26-22(28)17-14-9-6-10-15-17/h5-10,12-15,18-20H,4,11H2,1-3H3,(H,25,27)(H,26,28)/t18-,19-,20+/m0/s1
InChIKeyHYGIDYRLUOJQDI-SLFFLAALSA-N
XLogP2.35
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 13148833
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CID 2208900
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-(2-methyl-3-oxoheptan-4-yl)benzamide
CID 174885665
(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide
CID 11432604
methyl (2S)-2-benzamidopropanoate
CID 6364617
cyanomethyl 2-benzamido-3-methylpentanoate
CID 90672841
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
butyl (2S,3R)-2-benzamido-3-hydroxybutanoate
CID 101068173
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
methyl (2S,3R)-2-benzamido-3-hydroxy-7-phenylmethoxyheptanoate
CID 11361143
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate?
The IUPAC name of dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate (CID 11212841) is dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate.
What is the SMILES notation for dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate?
The canonical SMILES for dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate is CCC[C@H](NC(=O)c1ccccc1)[C@H](C(=O)OC)[C@@H](NC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate?
The InChIKey is HYGIDYRLUOJQDI-SLFFLAALSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-4-11-18(25-21(27)16-12-7-5-8-13-16)19(23(29)31-2)20(24(30)32-3)26-22(28)17-14-9-6-10-15-17/h5-10,12-15,18-20H,4,11H2,1-3H3,(H,25,27)(H,26,28)/t18-,19-,20+/m0/s1.
What are the key properties of dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate?
dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate has a molecular weight of 440.50 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate is sourced from PubChem (CID 11212841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).