(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid

C11H20N2O4 — CID 93054882

IUPAC(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(=O)N(C)CC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-7(14)13(5)6-8(15)12-9(10(16)17)11(2,3)4/h9H,6H2,1-5H3,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeyRFHJMMIMJSSXIZ-VIFPVBQESA-N
MW244.29 g/mol
LogP0.08
Rot. Bonds4

About (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 93054882) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID93054882
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(=O)N(C)CC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N2O4/c1-7(14)13(5)6-8(15)12-9(10(16)17)11(2,3)4/h9H,6H2,1-5H3,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeyRFHJMMIMJSSXIZ-VIFPVBQESA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid
CID 61144518
(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61152892
(2S,3R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3-hydroxybutanoic acid
CID 104964394
(2S)-3,3-dimethyl-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 61452367
(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 61155503
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091
(2R)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927908
(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
CID 103926507
(2S)-3,3-dimethyl-2-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61196070
(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 103927599
(2S)-2-(3-acetamidopropanoylamino)-3,3-dimethylbutanoic acid
CID 61144264
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
CID 113353116

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid (CID 93054882) is (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid is CC(=O)N(C)CC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is RFHJMMIMJSSXIZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(14)13(5)6-8(15)12-9(10(16)17)11(2,3)4/h9H,6H2,1-5H3,(H,12,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 93054882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).