2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid

C11H21NO4 — CID 115909811

IUPAC2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
SMILESCOC(C)CC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7(16-5)6-8(13)12-9(10(14)15)11(2,3)4/h7,9H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyDPRCAJJECVQSBE-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.03
Rot. Bonds5

About 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid

2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid (PubChem CID 115909811) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
PubChem CID115909811
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
SMILESCOC(C)CC(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H21NO4/c1-7(16-5)6-8(13)12-9(10(14)15)11(2,3)4/h7,9H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyDPRCAJJECVQSBE-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
CID 103926507
2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 81086648
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
CID 113353116
(2S)-2-[3-(ethylamino)butanoylamino]-3,3-dimethylbutanoic acid
CID 55121546
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
3,3-dimethyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 43467677
(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 103927229
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091
(3S)-3-methoxybutanoic acid
CID 51374275
3-(3-methoxybutanoylamino)-2,2-dimethylpropanoic acid
CID 115910002

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid (CID 115909811) is 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid is COC(C)CC(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is DPRCAJJECVQSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(16-5)6-8(13)12-9(10(14)15)11(2,3)4/h7,9H,6H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid?
2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 115909811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).