2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid

C17H33N3O4 — CID 123184139

IUPAC2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESCCC(CCN(C)C)C(=O)NC(C(=O)NC(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C17H33N3O4/c1-8-12(9-10-20(6)7)14(21)19-13(17(3,4)5)15(22)18-11(2)16(23)24/h11-13H,8-10H2,1-7H3,(H,18,22)(H,19,21)(H,23,24)
InChIKeyXQNVARSNDVTAQU-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.08
Rot. Bonds9

About 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid

2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid (PubChem CID 123184139) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid
PubChem CID123184139
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Name2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESCCC(CCN(C)C)C(=O)NC(C(=O)NC(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C17H33N3O4/c1-8-12(9-10-20(6)7)14(21)19-13(17(3,4)5)15(22)18-11(2)16(23)24/h11-13H,8-10H2,1-7H3,(H,18,22)(H,19,21)(H,23,24)
InChIKeyXQNVARSNDVTAQU-UHFFFAOYSA-N
XLogP1.08
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-3-methylpentanoyl]amino]propanoic acid
CID 162672111
2-[[2-[(2-ethanimidoyl-3-iminobutanoyl)amino]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 123935266
(2S)-2-[2-(aminomethyl)butanoylamino]-3,3-dimethylbutanoic acid
CID 65228808
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 162671473
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
2-(2-ethylpent-4-ynoylamino)propanoic acid
CID 123783253
(2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid
CID 120526882
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
CID 515367
2-[2-[[2-[[2-(2-ethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 22211455
2-[(6,6,6-trifluoro-2-propylhexanoyl)amino]propanoic acid
CID 56985271

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid (CID 123184139) is 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid is CCC(CCN(C)C)C(=O)NC(C(=O)NC(C)C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid?
The InChIKey is XQNVARSNDVTAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-8-12(9-10-20(6)7)14(21)19-13(17(3,4)5)15(22)18-11(2)16(23)24/h11-13H,8-10H2,1-7H3,(H,18,22)(H,19,21)(H,23,24).
What are the key properties of 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid?
2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid has a molecular weight of 343.47 g/mol, XLogP of 1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-(dimethylamino)-2-ethylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid is sourced from PubChem (CID 123184139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).