benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate

C16H24N2O4 — CID 159493604

IUPACbenzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
SMILESCC(C)(C)OC[C@H](N)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-11-13(17)15(20)18-9-14(19)21-10-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyLYMQLWCLDUEQEP-ZDUSSCGKSA-N
MW308.38 g/mol
LogP0.99
Rot. Bonds7

About benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate

benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate (PubChem CID 159493604) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
PubChem CID159493604
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namebenzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
SMILESCC(C)(C)OC[C@H](N)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-11-13(17)15(20)18-9-14(19)21-10-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyLYMQLWCLDUEQEP-ZDUSSCGKSA-N
XLogP0.99
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[[(2R)-2-amino-3-benzylsulfanylpropanoyl]amino]acetate
CID 14216015
benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
CID 30396801
benzyl 2-[[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]acetate
CID 54038783
benzyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 10980600
2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
CID 143126670
benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate
CID 118525620
benzyl (3R)-3-methyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 158977927
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
benzyl 2-[[(2S)-2-[[(2S)-2-amino-3-(2-methylphenyl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]acetate
CID 175714590
2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 155282670
benzyl N-[1-(benzylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamate
CID 77420822
ethyl 2-[[1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-(2-oxo-2-phenylmethoxyethyl)amino]acetate
CID 157444349

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate?
The IUPAC name of benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate (CID 159493604) is benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate is CC(C)(C)OC[C@H](N)C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate?
The InChIKey is LYMQLWCLDUEQEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-11-13(17)15(20)18-9-14(19)21-10-12-7-5-4-6-8-12/h4-8,13H,9-11,17H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate?
benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate has a molecular weight of 308.38 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate is sourced from PubChem (CID 159493604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).