(2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid

C12H24N2O3 — CID 79813832

IUPAC(2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCCC(N)(CC)C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-12(13,7-2)10(17)14-8(9(15)16)11(3,4)5/h8H,6-7,13H2,1-5H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeyIPRHASNJFXUJLQ-MRVPVSSYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds5

About (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid

(2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 79813832) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID79813832
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCCC(N)(CC)C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-12(13,7-2)10(17)14-8(9(15)16)11(3,4)5/h8H,6-7,13H2,1-5H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeyIPRHASNJFXUJLQ-MRVPVSSYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103927163
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2S)-3,3-dimethyl-2-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
CID 61187872
(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
CID 79814047
(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229
2-[(1-carboxy-2,2-dimethylpropyl)carbamoylamino]pentanedioic acid;propane
CID 144741623
(2S)-2-[2-(aminomethyl)butanoylamino]-3,3-dimethylbutanoic acid
CID 65228808
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
(2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid
CID 103868984
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 103927168

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid (CID 79813832) is (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid is CCC(N)(CC)C(=O)N[C@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is IPRHASNJFXUJLQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-12(13,7-2)10(17)14-8(9(15)16)11(3,4)5/h8H,6-7,13H2,1-5H3,(H,14,17)(H,15,16)/t8-/m1/s1.
What are the key properties of (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid?
(2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 79813832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).