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

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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).