lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate

C11H20LiNO3 — CID 139750048

IUPAClithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate
SMILESCC(C)CC(=O)N(C)[C@H](C(=O)[O-])C(C)C.[Li+]
InChIInChI=1S/C11H21NO3.Li/c1-7(2)6-9(13)12(5)10(8(3)4)11(14)15;/h7-8,10H,6H2,1-5H3,(H,14,15);/q;+1/p-1/t10-;/m0./s1
InChIKeyZXGZANNDNYPPGU-PPHPATTJSA-M
MW221.23 g/mol
LogP-2.73
Rot. Bonds5

About lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate

lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate (PubChem CID 139750048) has the molecular formula C11H20LiNO3 and a molecular weight of 221.23 g/mol. Its IUPAC name is lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate.

Molecular Properties

Compound Namelithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate
PubChem CID139750048
Molecular FormulaC11H20LiNO3
Molecular Weight221.23 g/mol
Exact Mass221.16
IUPAC Namelithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate
SMILESCC(C)CC(=O)N(C)[C@H](C(=O)[O-])C(C)C.[Li+]
InChIInChI=1S/C11H21NO3.Li/c1-7(2)6-9(13)12(5)10(8(3)4)11(14)15;/h7-8,10H,6H2,1-5H3,(H,14,15);/q;+1/p-1/t10-;/m0./s1
InChIKeyZXGZANNDNYPPGU-PPHPATTJSA-M
XLogP-2.73
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 5-2.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloropropan-2-yl)-N,3-dimethylbutanamide
CID 104555865
N,2-dimethyl-N-(2-methylpropyl)propanamide;N,3-dimethyl-N-propan-2-ylbutanamide
CID 165001627
N-ethyl-N,3-dimethylbutanamide
CID 18505916
(2R)-2-[(2-chloroacetyl)-methylamino]-3-methylbutanoic acid
CID 15677270
N-carbamoyl-N,3-dimethylbutanamide
CID 121479139
N-methoxy-N,3-dimethylbutanamide
CID 10975620
calcium bis(3-methylbutanoate)
CID 6453767
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417
2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
CID 110834656
3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 4639500
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 144977230

Frequently Asked Questions

What is the IUPAC name of lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate?
The IUPAC name of lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate (CID 139750048) is lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate.
What is the SMILES notation for lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate?
The canonical SMILES for lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate is CC(C)CC(=O)N(C)[C@H](C(=O)[O-])C(C)C.[Li+].
What is the InChIKey of lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate?
The InChIKey is ZXGZANNDNYPPGU-PPHPATTJSA-M. The full InChI is InChI=1S/C11H21NO3.Li/c1-7(2)6-9(13)12(5)10(8(3)4)11(14)15;/h7-8,10H,6H2,1-5H3,(H,14,15);/q;+1/p-1/t10-;/m0./s1.
What are the key properties of lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate?
lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate has a molecular weight of 221.23 g/mol, XLogP of -2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S)-3-methyl-2-[methyl(3-methylbutanoyl)amino]butanoate is sourced from PubChem (CID 139750048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).