2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium

C10H22N3O3+ — CID 22804812

IUPAC2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-13(2,3)7-6-12-9(14)5-4-8(11)10(15)16/h8H,4-7,11H2,1-3H3,(H-,12,14,15,16)/p+1/t8-/m0/s1
InChIKeyUJGIVCSPTLIWPQ-QMMMGPOBSA-O
MW232.30 g/mol
LogP-1.00
Rot. Bonds7

About 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium

2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium (PubChem CID 22804812) has the molecular formula C10H22N3O3+ and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium
PubChem CID22804812
Molecular FormulaC10H22N3O3+
Molecular Weight232.30 g/mol
Exact Mass232.17
IUPAC Name2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C10H21N3O3/c1-13(2,3)7-6-12-9(14)5-4-8(11)10(15)16/h8H,4-7,11H2,1-3H3,(H-,12,14,15,16)/p+1/t8-/m0/s1
InChIKeyUJGIVCSPTLIWPQ-QMMMGPOBSA-O
XLogP-1.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Aceglutamide
CID 182230
L-Theanine
CID 439378
L-Alanyl-L-Glutamine
CID 123935
Glycyl-L-glutamine
CID 123913
L-Alanyl-L-proline
CID 83525
4-Carbamoyl-2-acetamidobutanoic acid
CID 25561
(2R)-2-[[(4S)-4-azaniumyl-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropane-1-thiolate
CID 171390563
gamma-Glutamyl-Se-methylselenocysteine
CID 440760
Gamma-Glutamylglutamine
CID 150914
gamma-Glutamylleucine
CID 151023
Glu-Lys
CID 7015704
L-gamma-glutamyl-L-glutamic acid
CID 92865

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium?
The IUPAC name of 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium (CID 22804812) is 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium is C[N+](C)(C)CCNC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium?
The InChIKey is UJGIVCSPTLIWPQ-QMMMGPOBSA-O. The full InChI is InChI=1S/C10H21N3O3/c1-13(2,3)7-6-12-9(14)5-4-8(11)10(15)16/h8H,4-7,11H2,1-3H3,(H-,12,14,15,16)/p+1/t8-/m0/s1.
What are the key properties of 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium?
2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium has a molecular weight of 232.30 g/mol, XLogP of -1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium is sourced from PubChem (CID 22804812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).