benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate

C17H24N2O4 — CID 30396801

IUPACbenzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-12(19-16(22)17(2,3)4)15(21)18-10-14(20)23-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyOUFUEGWHQCYXKY-GFCCVEGCSA-N
MW320.39 g/mol
LogP1.40
Rot. Bonds6

About benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate

benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate (PubChem CID 30396801) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
PubChem CID30396801
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namebenzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-12(19-16(22)17(2,3)4)15(21)18-10-14(20)23-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyOUFUEGWHQCYXKY-GFCCVEGCSA-N
XLogP1.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 10980600
(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 134410908
benzyl 2-[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetate
CID 131720212
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22492201
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 159493604
benzyl N-[(2S)-1-[(3-chloro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 118798323
benzyl (2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutanoate
CID 165166794
benzyl 2-[[(2S,3R)-2-(carbamoylamino)-3-methylpentanoyl]amino]acetate
CID 51648070
benzyl 2-[[(2S,3S)-2-(carbamoylamino)-3-methylpentanoyl]amino]acetate
CID 7613315
2-benzyl-3-[2-(2,2-dimethylpropanoylamino)propanoylamino]propanoic acid
CID 119233396

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate?
The IUPAC name of benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate (CID 30396801) is benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate is C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate?
The InChIKey is OUFUEGWHQCYXKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(19-16(22)17(2,3)4)15(21)18-10-14(20)23-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,21)(H,19,22)/t12-/m1/s1.
What are the key properties of benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate?
benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate has a molecular weight of 320.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate is sourced from PubChem (CID 30396801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).