tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate

C10H20N2O3 — CID 91979491

IUPACtert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
SMILESC[C@H](N)C(=O)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-6(11)8(13)12-7(2)9(14)15-10(3,4)5/h6-7H,11H2,1-5H3,(H,12,13)/t6-,7+/m0/s1
InChIKeySVLVBJGAHGTROD-NKWVEPMBSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds3

About tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate

tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate (PubChem CID 91979491) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
PubChem CID91979491
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
SMILESC[C@H](N)C(=O)N[C@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-6(11)8(13)12-7(2)9(14)15-10(3,4)5/h6-7H,11H2,1-5H3,(H,12,13)/t6-,7+/m0/s1
InChIKeySVLVBJGAHGTROD-NKWVEPMBSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(2-aminopropanoylamino)propanoylamino]propanoate
CID 14487194
tert-butyl (2S)-2-[[(2R,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]propanoate
CID 10403530
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
tert-butyl (2S)-2-[[(2S)-2-[[(2S,3S)-2,3-diamino-4-[[(2S)-1-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoate
CID 155444698
tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
CID 103310505
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl (2S)-2-[[(2S)-2-amino-5,5-dimethylhexanoyl]amino]propanoate
CID 166567820
tert-butyl (2S)-2-aminopropanoate;tert-butyl (2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate;methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 161062170
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
tert-butyl (2S)-2-[[(2S)-2-[(2-hydroxyacetyl)amino]propanoyl]amino]propanoate
CID 87732284

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate (CID 91979491) is tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate is C[C@H](N)C(=O)N[C@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
The InChIKey is SVLVBJGAHGTROD-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(11)8(13)12-7(2)9(14)15-10(3,4)5/h6-7H,11H2,1-5H3,(H,12,13)/t6-,7+/m0/s1.
What are the key properties of tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate?
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate has a molecular weight of 216.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate is sourced from PubChem (CID 91979491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).