tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate

C13H26N2O4 — CID 15060027

IUPACtert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OC[C@H](NC(=O)CN)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-12(2,3)18-8-9(15-10(16)7-14)11(17)19-13(4,5)6/h9H,7-8,14H2,1-6H3,(H,15,16)/t9-/m0/s1
InChIKeyCMQKALTZMHLGDA-VIFPVBQESA-N
MW274.36 g/mol
LogP0.59
Rot. Bonds5

About tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate

tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 15060027) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID15060027
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Nametert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OC[C@H](NC(=O)CN)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-12(2,3)18-8-9(15-10(16)7-14)11(17)19-13(4,5)6/h9H,7-8,14H2,1-6H3,(H,15,16)/t9-/m0/s1
InChIKeyCMQKALTZMHLGDA-VIFPVBQESA-N
XLogP0.59
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-Acetyl-ala-ala-ala-methylester
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Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
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1,3-Diethyl 2-(2-methylpropanamido)propanedioate
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tert-butyl (2S)-2-[(2S)-2-aminopropanamido]propanoate hydrochloride
CID 15600049
O-(2-acetamidoethyl)-L-serine
CID 146681099
tert-butyl (2R)-2-[[(2R)-2-[(2-iodoacetyl)amino]propanoyl]amino]propanoate
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CID 541978
Ethyl N-(2-((tert-butoxycarbonyl)amino)ethyl)glycinate
CID 4319362

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 15060027) is tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate is CC(C)(C)OC[C@H](NC(=O)CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is CMQKALTZMHLGDA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H26N2O4/c1-12(2,3)18-8-9(15-10(16)7-14)11(17)19-13(4,5)6/h9H,7-8,14H2,1-6H3,(H,15,16)/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 274.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2-aminoacetyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 15060027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).