tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate

C14H26N2O5 — CID 26791695

IUPACtert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-9(16-12(19)21-14(5,6)7)11(18)15-8-10(17)20-13(2,3)4/h9H,8H2,1-7H3,(H,15,18)(H,16,19)/t9-/m0/s1
InChIKeyLAGXZSHOMYOZKU-VIFPVBQESA-N
MW302.37 g/mol
LogP1.36
Rot. Bonds4

About tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate

tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate (PubChem CID 26791695) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
PubChem CID26791695
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nametert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-9(16-12(19)21-14(5,6)7)11(18)15-8-10(17)20-13(2,3)4/h9H,8H2,1-7H3,(H,15,18)(H,16,19)/t9-/m0/s1
InChIKeyLAGXZSHOMYOZKU-VIFPVBQESA-N
XLogP1.36
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate (CID 26791695) is tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate is C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
The InChIKey is LAGXZSHOMYOZKU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H26N2O5/c1-9(16-12(19)21-14(5,6)7)11(18)15-8-10(17)20-13(2,3)4/h9H,8H2,1-7H3,(H,15,18)(H,16,19)/t9-/m0/s1.
What are the key properties of tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate?
tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate has a molecular weight of 302.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate is sourced from PubChem (CID 26791695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).