2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid

C14H24N4O7 — CID 22025867

IUPAC2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C14H24N4O7/c1-8(18-13(24)25-14(2,3)4)12(23)17-6-10(20)15-5-9(19)16-7-11(21)22/h8H,5-7H2,1-4H3,(H,15,20)(H,16,19)(H,17,23)(H,18,24)(H,21,22)
InChIKeyCAPIMPNNGSBUKU-UHFFFAOYSA-N
MW360.37 g/mol
LogP-1.67
Rot. Bonds8

About 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 22025867) has the molecular formula C14H24N4O7 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID22025867
Molecular FormulaC14H24N4O7
Molecular Weight360.37 g/mol
Exact Mass360.16
IUPAC Name2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
SMILESCC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C14H24N4O7/c1-8(18-13(24)25-14(2,3)4)12(23)17-6-10(20)15-5-9(19)16-7-11(21)22/h8H,5-7H2,1-4H3,(H,15,20)(H,16,19)(H,17,23)(H,18,24)(H,21,22)
InChIKeyCAPIMPNNGSBUKU-UHFFFAOYSA-N
XLogP-1.67
TPSA162.93 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-1.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid (CID 22025867) is 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid is CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is CAPIMPNNGSBUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O7/c1-8(18-13(24)25-14(2,3)4)12(23)17-6-10(20)15-5-9(19)16-7-11(21)22/h8H,5-7H2,1-4H3,(H,15,20)(H,16,19)(H,17,23)(H,18,24)(H,21,22).
What are the key properties of 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 360.37 g/mol, XLogP of -1.67, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 22025867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).