(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride

C7H16ClNO2 — CID 172557407

IUPAC(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride
SMILESCl.[2H]C[C@](N)(CC(C)C)C(=O)O
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)4-7(3,8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H/t7-;/m0./s1/i3D;
InChIKeyZESCTDHOWCQMPQ-NKNYGJCESA-N
MW182.67 g/mol
LogP1.26
Rot. Bonds4

About (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride

(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride (PubChem CID 172557407) has the molecular formula C7H16ClNO2 and a molecular weight of 182.67 g/mol. Its IUPAC name is (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride
PubChem CID172557407
Molecular FormulaC7H16ClNO2
Molecular Weight182.67 g/mol
Exact Mass182.09
IUPAC Name(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride
SMILESCl.[2H]C[C@](N)(CC(C)C)C(=O)O
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)4-7(3,8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H/t7-;/m0./s1/i3D;
InChIKeyZESCTDHOWCQMPQ-NKNYGJCESA-N
XLogP1.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,5-diamino-2-(deuteriomethyl)pentanoic acid
CID 57018880
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
(4S)-4-amino-4,6-dimethylheptan-3-one
CID 138509881
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
(2R)-2-amino-2-ethenyl-4-methylpentanoic acid
CID 10511127
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
2-amino-2-(2-methylpropyl)-3-oxo-4-sulfanylpentanoic acid
CID 22315342
2-amino-4-methyl-2-oxaldehydoylpentanoic acid
CID 175537658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride (CID 172557407) is (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride is Cl.[2H]C[C@](N)(CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride?
The InChIKey is ZESCTDHOWCQMPQ-NKNYGJCESA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)4-7(3,8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H/t7-;/m0./s1/i3D;.
What are the key properties of (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride?
(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride has a molecular weight of 182.67 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 172557407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).