3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid

C7H13NO4 — CID 62676002

IUPAC3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
SMILESCOCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(7(10)11)3-8-6(9)4-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyPOLARGYOZFSBFR-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.53
Rot. Bonds5

About 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid

3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid (PubChem CID 62676002) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
PubChem CID62676002
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
SMILESCOCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-5(7(10)11)3-8-6(9)4-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyPOLARGYOZFSBFR-UHFFFAOYSA-N
XLogP-0.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
CID 62675487
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
N-[2-(dimethylamino)-3-methylbutyl]-2-methoxyacetamide
CID 60724343
3-[[2-(4-iodophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119237353
N-[(2S)-2-hydroxy-3-(methylamino)propyl]-2-methoxyacetamide
CID 90248832
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675197
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 64678333
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
N-(2-hydroxy-2-phenylethyl)-2-methoxyacetamide
CID 60654245
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid (CID 62676002) is 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid is COCC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid?
The InChIKey is POLARGYOZFSBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(7(10)11)3-8-6(9)4-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid?
3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62676002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).