(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate

C7H15NO3 — CID 10917

💊View drug profile → levocarnitine
IUPAC(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
SMILESC[N+](C)(C)C[C@H](O)CC(=O)[O-]
InChIInChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyPHIQHXFUZVPYII-ZCFIWIBFSA-N
MW161.20 g/mol
LogP-1.81
Rot. Bonds4

About (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate

(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate (PubChem CID 10917) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
PubChem CID10917
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
SMILESC[N+](C)(C)C[C@H](O)CC(=O)[O-]
InChIInChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyPHIQHXFUZVPYII-ZCFIWIBFSA-N
XLogP-1.81
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate 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

DL-Carnitine
CID 288
Carnitine Chloride
CID 5970
O-acetylcarnitinium
CID 439756
D-Carnitine
CID 2724480
Levocarnitine Chloride
CID 656657
1-propanaminium, 3-carboxy-2-hydroxy-n,n,n-trimethyl-, inner salt
CID 85
(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium
CID 10918
Hydroxypropionylcarnitine
CID 53481613
Levocarnitine-propionate
CID 157837
2-(Acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium
CID 2
3-Hydroxybutyrylcarnitine
CID 71464477
4-(Dimethylamino)-3-hydroxybutanoic acid
CID 237032

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate?
The IUPAC name of (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate (CID 10917) is (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate.
What is the SMILES notation for (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate?
The canonical SMILES for (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate is C[N+](C)(C)C[C@H](O)CC(=O)[O-].
What is the InChIKey of (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate?
The InChIKey is PHIQHXFUZVPYII-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate?
(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate has a molecular weight of 161.20 g/mol, XLogP of -1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate is sourced from PubChem (CID 10917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).