2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid

C10H19NO4 — CID 103018984

IUPAC2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)(C)OC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-6-10(4,8(13)14)11-7(12)9(2,3)15-5/h6H2,1-5H3,(H,11,12)(H,13,14)
InChIKeyMQOCUQGEHBLUOQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds5

About 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid

2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid (PubChem CID 103018984) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid
PubChem CID103018984
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)(C)OC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-6-10(4,8(13)14)11-7(12)9(2,3)15-5/h6H2,1-5H3,(H,11,12)(H,13,14)
InChIKeyMQOCUQGEHBLUOQ-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxy-2-methylpropanamide
CID 107866520
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
CID 79799154
2-(carbamothioylamino)-2-methylbutanoic acid
CID 88920179
(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 103018390
2-[(2-amino-4-methoxybutanoyl)amino]-2-methylbutanoic acid
CID 79798220
(2S)-4-methoxy-2-[(2-methoxy-2-methylpropanoyl)amino]-4-oxobutanoic acid
CID 103018649
2-[(2-methoxy-2-methylpropanoyl)amino]acetic acid
CID 115909635
(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
CID 97233847
2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 103018889

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid (CID 103018984) is 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)C(C)(C)OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid?
The InChIKey is MQOCUQGEHBLUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6-10(4,8(13)14)11-7(12)9(2,3)15-5/h6H2,1-5H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid?
2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 103018984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).