[(2S)-2-amino-3-carboxypropyl]-trimethylazanium

C7H17N2O2+ — CID 10197828

IUPAC[(2S)-2-amino-3-carboxypropyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@@H](N)CC(=O)O
InChIInChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/p+1/t6-/m0/s1
InChIKeyDAWBGYHPBBDHMQ-LURJTMIESA-O
MW161.22 g/mol
LogP-0.51
Rot. Bonds4

About [(2S)-2-amino-3-carboxypropyl]-trimethylazanium

[(2S)-2-amino-3-carboxypropyl]-trimethylazanium (PubChem CID 10197828) has the molecular formula C7H17N2O2+ and a molecular weight of 161.22 g/mol. Its IUPAC name is [(2S)-2-amino-3-carboxypropyl]-trimethylazanium.

Molecular Properties

Compound Name[(2S)-2-amino-3-carboxypropyl]-trimethylazanium
PubChem CID10197828
Molecular FormulaC7H17N2O2+
Molecular Weight161.22 g/mol
Exact Mass161.13
IUPAC Name[(2S)-2-amino-3-carboxypropyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@@H](N)CC(=O)O
InChIInChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/p+1/t6-/m0/s1
InChIKeyDAWBGYHPBBDHMQ-LURJTMIESA-O
XLogP-0.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-carboxypropyl]-trimethylazanium?
The IUPAC name of [(2S)-2-amino-3-carboxypropyl]-trimethylazanium (CID 10197828) is [(2S)-2-amino-3-carboxypropyl]-trimethylazanium.
What is the SMILES notation for [(2S)-2-amino-3-carboxypropyl]-trimethylazanium?
The canonical SMILES for [(2S)-2-amino-3-carboxypropyl]-trimethylazanium is C[N+](C)(C)C[C@@H](N)CC(=O)O.
What is the InChIKey of [(2S)-2-amino-3-carboxypropyl]-trimethylazanium?
The InChIKey is DAWBGYHPBBDHMQ-LURJTMIESA-O. The full InChI is InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/p+1/t6-/m0/s1.
What are the key properties of [(2S)-2-amino-3-carboxypropyl]-trimethylazanium?
[(2S)-2-amino-3-carboxypropyl]-trimethylazanium has a molecular weight of 161.22 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-carboxypropyl]-trimethylazanium is sourced from PubChem (CID 10197828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).