2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid

C10H19NO4 — CID 10465935

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(2)11(6-8(12)13)9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,12,13)
InChIKeyVDWLWSLMCAPRCS-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.72
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid (PubChem CID 10465935) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid
PubChem CID10465935
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(2)11(6-8(12)13)9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,12,13)
InChIKeyVDWLWSLMCAPRCS-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid (CID 10465935) is 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid?
The InChIKey is VDWLWSLMCAPRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(2)11(6-8(12)13)9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 10465935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).