(2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride

Name: (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₁₆ClNO₂ — CID 156767748

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride

SMILESCl.[2H]CN[C@@H](CC(C)C)C(=O)O

InChIInChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t6-;/m0./s1/i3D;

InChIKeyQYFWCUVWMMTENJ-QYARCOGASA-N

MW182.67 g/mol

LogP1.13

Rot. Bonds5

About (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride

(2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride (PubChem CID 156767748) has the molecular formula C₇H₁₆ClNO₂ and a molecular weight of 182.67 g/mol. Its IUPAC name is (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name	(2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride
PubChem CID	156767748
Molecular Formula	C₇H₁₆ClNO₂
Molecular Weight	182.67 g/mol
Exact Mass	182.09
IUPAC Name	(2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride
SMILES	Cl.[2H]CN[C@@H](CC(C)C)C(=O)O
InChI	InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t6-;/m0./s1/i3D;
InChIKey	QYFWCUVWMMTENJ-QYARCOGASA-N
XLogP	1.13
TPSA	49.33 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.67
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride?

The IUPAC name of (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride (CID 156767748) is (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride.

What is the SMILES notation for (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride?

The canonical SMILES for (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride is Cl.[2H]CN[C@@H](CC(C)C)C(=O)O.

What is the InChIKey of (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride?

The InChIKey is QYFWCUVWMMTENJ-QYARCOGASA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t6-;/m0./s1/i3D;.

What are the key properties of (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride?

(2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride has a molecular weight of 182.67 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 156767748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156767748 — identifiers, structure, computed properties (public domain)

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