methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate

C10H21NO3 — CID 101480223

IUPACmethyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate
SMILESCOC(=O)C[C@@H](N)[C@@H](C)CC(C)(C)O
InChIInChI=1S/C10H21NO3/c1-7(6-10(2,3)13)8(11)5-9(12)14-4/h7-8,13H,5-6,11H2,1-4H3/t7-,8+/m0/s1
InChIKeyCHJRIZWJTUJBDJ-JGVFFNPUSA-N
MW203.28 g/mol
LogP0.67
Rot. Bonds5

About methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate

methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate (PubChem CID 101480223) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate.

Molecular Properties

Compound Namemethyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate
PubChem CID101480223
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate
SMILESCOC(=O)C[C@@H](N)[C@@H](C)CC(C)(C)O
InChIInChI=1S/C10H21NO3/c1-7(6-10(2,3)13)8(11)5-9(12)14-4/h7-8,13H,5-6,11H2,1-4H3/t7-,8+/m0/s1
InChIKeyCHJRIZWJTUJBDJ-JGVFFNPUSA-N
XLogP0.67
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate 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

methyl (3R)-3-amino-4-ethylhexanoate
CID 104941142
methyl (3R,4R)-3-amino-4-hydroxy-5-methylhexanoate
CID 102357296
acetic acid;methyl (3S)-3-amino-4-methylpentanoate
CID 119081529
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
methyl (3S,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 18607834
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
methyl 3,4-dimethylpentanoate
CID 554058
methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate
CID 59806230
1-O,1-O-ditert-butyl 2-O-methyl ethane-1,1,2-tricarboxylate
CID 13042474
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
CID 87358992

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate?
The IUPAC name of methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate (CID 101480223) is methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate.
What is the SMILES notation for methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate?
The canonical SMILES for methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate is COC(=O)C[C@@H](N)[C@@H](C)CC(C)(C)O.
What is the InChIKey of methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate?
The InChIKey is CHJRIZWJTUJBDJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7(6-10(2,3)13)8(11)5-9(12)14-4/h7-8,13H,5-6,11H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate?
methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate has a molecular weight of 203.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-3-amino-6-hydroxy-4,6-dimethylheptanoate is sourced from PubChem (CID 101480223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).