2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid

C7H13NO4 — CID 54312807

IUPAC2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCOC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-7(2,5(9)10)8(3)6(11)12-4/h1-4H3,(H,9,10)
InChIKeySMBYBCPGVLQCKI-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.55
Rot. Bonds2

About 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid

2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 54312807) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid
PubChem CID54312807
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCOC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-7(2,5(9)10)8(3)6(11)12-4/h1-4H3,(H,9,10)
InChIKeySMBYBCPGVLQCKI-UHFFFAOYSA-N
XLogP0.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(Tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid
CID 2734752
2-methyl-2-(N-methylacetamido)propanoic acid
CID 23279431
Trimethylalanine
CID 151418
2-Methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid
CID 62818703
3,3,3-Trifluoro-2-[formyl(methyl)amino]-2-methylpropanoic acid
CID 106523378
Dicarboxy-(2-carboxypropan-2-yl)-methylazanium
CID 19973714
2-[Ethoxycarbonyl(methyl)amino]propanoic acid
CID 20230843
1-Methoxycarbonyl-2-methylaziridine-2-carboxylic acid
CID 21025955
2-[Tert-butyl(methoxycarbonyl)amino]acetic acid
CID 22460059
2-[Formyl(methyl)amino]-2-methylpropanoic acid
CID 23279437
(2S)-2-[ethoxycarbonyl(methyl)amino]propanoic acid
CID 54058984
2-[Carboxy(methyl)amino]propanoic acid
CID 55301612

Frequently Asked Questions

What is the IUPAC name of 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid (CID 54312807) is 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid is COC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is SMBYBCPGVLQCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-7(2,5(9)10)8(3)6(11)12-4/h1-4H3,(H,9,10).
What are the key properties of 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid?
2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 54312807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).