2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid

C8H14NO4+ — CID 171465431

IUPAC2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid
SMILES[CH2+]C(C)(C)OC(=O)N(C)CC(=O)O
InChIInChI=1S/C8H13NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h1,5H2,2-4H3/p+1
InChIKeyUAKJMXMFTZRESK-UHFFFAOYSA-O
MW188.20 g/mol
LogP0.75
Rot. Bonds3

About 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid

2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid (PubChem CID 171465431) has the molecular formula C8H14NO4+ and a molecular weight of 188.20 g/mol. Its IUPAC name is 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid
PubChem CID171465431
Molecular FormulaC8H14NO4+
Molecular Weight188.20 g/mol
Exact Mass188.09
IUPAC Name2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid
SMILES[CH2+]C(C)(C)OC(=O)N(C)CC(=O)O
InChIInChI=1S/C8H13NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h1,5H2,2-4H3/p+1
InChIKeyUAKJMXMFTZRESK-UHFFFAOYSA-O
XLogP0.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
CID 121439864
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
CID 43135721
2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid
CID 139777185
dimethyl 2-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylidene]propanedioate
CID 54691513
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929
2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 18784338
2-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260
2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
CID 14985601
2-[methyl-(2,2,2-trichloroacetyl)amino]acetic acid
CID 21402666

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid (CID 171465431) is 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid is [CH2+]C(C)(C)OC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid?
The InChIKey is UAKJMXMFTZRESK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h1,5H2,2-4H3/p+1.
What are the key properties of 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid?
2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid has a molecular weight of 188.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid is sourced from PubChem (CID 171465431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).