2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C9H15NO6 — CID 2755971

IUPAC2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyQPGIJQUTGABQLQ-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.39
Rot. Bonds4

About 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 2755971) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID2755971
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyQPGIJQUTGABQLQ-UHFFFAOYSA-N
XLogP0.39
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 2755971) is 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is QPGIJQUTGABQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 233.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 2755971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).