[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium

C11H25N2O2+ — CID 59029555

IUPAC[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium
SMILESCC(C)C[C@@H](CO)NC(=O)[C@@H]([NH3+])C(C)C
InChIInChI=1S/C11H24N2O2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)/p+1/t9-,10-/m0/s1
InChIKeyFTTXXBXFUKMCPW-UWVGGRQHSA-O
MW217.33 g/mol
LogP-0.22
Rot. Bonds6

About [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium

[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium (PubChem CID 59029555) has the molecular formula C11H25N2O2+ and a molecular weight of 217.33 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium
PubChem CID59029555
Molecular FormulaC11H25N2O2+
Molecular Weight217.33 g/mol
Exact Mass217.19
IUPAC Name[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium
SMILESCC(C)C[C@@H](CO)NC(=O)[C@@H]([NH3+])C(C)C
InChIInChI=1S/C11H24N2O2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)/p+1/t9-,10-/m0/s1
InChIKeyFTTXXBXFUKMCPW-UWVGGRQHSA-O
XLogP-0.22
TPSA76.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium 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

Glycyl-L-leucine
CID 92843
L-leucyl-L-leucine
CID 76807
L-Alanyl-L-leucine
CID 96801
Ser-Leu
CID 7015695
Valylleucine
CID 6993118
DL-Alanyl-DL-leucine
CID 259583
CID 7015694
CID 7015694
N-Acetylglycyl-L-leucine
CID 7010527
Leu-D-Leu
CID 6992076
Val-Gly-Leu
CID 44230565
Val-Ala-Leu
CID 44398488
DL-Leu-DL-leu
CID 94244

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium?
The IUPAC name of [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium (CID 59029555) is [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium?
The canonical SMILES for [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium is CC(C)C[C@@H](CO)NC(=O)[C@@H]([NH3+])C(C)C.
What is the InChIKey of [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium?
The InChIKey is FTTXXBXFUKMCPW-UWVGGRQHSA-O. The full InChI is InChI=1S/C11H24N2O2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)/p+1/t9-,10-/m0/s1.
What are the key properties of [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium?
[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium has a molecular weight of 217.33 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium is sourced from PubChem (CID 59029555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).