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

C11H22N2O3 — CID 103927163

IUPAC(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCCC(C)(N)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-11(5,12)9(16)13-7(8(14)15)10(2,3)4/h7H,6,12H2,1-5H3,(H,13,16)(H,14,15)/t7-,11?/m0/s1
InChIKeyNLACRKDUZYTISO-RGENBBCFSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds4

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

(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 103927163) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID103927163
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCCC(C)(N)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-11(5,12)9(16)13-7(8(14)15)10(2,3)4/h7H,6,12H2,1-5H3,(H,13,16)(H,14,15)/t7-,11?/m0/s1
InChIKeyNLACRKDUZYTISO-RGENBBCFSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 79813832
2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid
CID 79805776
(2S)-3,3-dimethyl-2-(2-methylbutan-2-ylcarbamoylamino)butanoic acid
CID 61187872
methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79797109
2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid
CID 79805005
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229
ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79805903
(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-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid (CID 103927163) is (2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid is CCC(C)(N)C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is NLACRKDUZYTISO-RGENBBCFSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-11(5,12)9(16)13-7(8(14)15)10(2,3)4/h7H,6,12H2,1-5H3,(H,13,16)(H,14,15)/t7-,11?/m0/s1.
What are the key properties of (2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).