methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride

C7H16ClNO2 — CID 135890686

IUPACmethyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride
SMILESCl.[2H][C@@H](C(C)C)[C@@]([2H])(N)C(=O)OC
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1/i4D,6D;/t4-,6+;/m0.
InChIKeyDODCBMODXGJOKD-XXNXWAEWSA-N
MW183.68 g/mol
LogP0.95
Rot. Bonds3

About methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride

methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride (PubChem CID 135890686) has the molecular formula C7H16ClNO2 and a molecular weight of 183.68 g/mol. Its IUPAC name is methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride
PubChem CID135890686
Molecular FormulaC7H16ClNO2
Molecular Weight183.68 g/mol
Exact Mass183.10
IUPAC Namemethyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride
SMILESCl.[2H][C@@H](C(C)C)[C@@]([2H])(N)C(=O)OC
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1/i4D,6D;/t4-,6+;/m0.
InChIKeyDODCBMODXGJOKD-XXNXWAEWSA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride 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 2-deuterio-3-deuteriooxy-2-(dideuterioamino)propanoate
CID 132579014
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
methyl 2-aminopropanoate
CID 159707893
methyl (2R)-2-amino-3-ethylpentanoate;hydrochloride
CID 87789576
(2S,3S)-2-amino-2,3,4-trideuterio-4-methyl(113C)pentanoic acid
CID 25241075
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
methyl (2S,3S)-2-(acetyl(13N)amino)-3,4-dideuterio-4-methyl(3,5-13C2)pentanoate
CID 160509154
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl (2S)-5-methyl-2-propan-2-ylhexanoate
CID 118199132
methyl 2-aminopent-4-enoate
CID 10877146

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride?
The IUPAC name of methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride (CID 135890686) is methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride.
What is the SMILES notation for methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride?
The canonical SMILES for methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride is Cl.[2H][C@@H](C(C)C)[C@@]([2H])(N)C(=O)OC.
What is the InChIKey of methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride?
The InChIKey is DODCBMODXGJOKD-XXNXWAEWSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1/i4D,6D;/t4-,6+;/m0..
What are the key properties of methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride?
methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride is sourced from PubChem (CID 135890686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).