[(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride

C9H22ClN2O2+ — CID 174771032

IUPAC[(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride
SMILESC[N+](C)(C)CCCC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-11(2,3)7-5-4-6-8(10)9(12)13;/h8H,4-7,10H2,1-3H3;1H/p+1/t8-;/m0./s1
InChIKeyZKIJKCHCMFGMCM-QRPNPIFTSA-O
MW225.74 g/mol
LogP0.70
Rot. Bonds6

About [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride

[(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride (PubChem CID 174771032) has the molecular formula C9H22ClN2O2+ and a molecular weight of 225.74 g/mol. Its IUPAC name is [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride.

Molecular Properties

Compound Name[(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride
PubChem CID174771032
Molecular FormulaC9H22ClN2O2+
Molecular Weight225.74 g/mol
Exact Mass225.14
IUPAC Name[(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride
SMILESC[N+](C)(C)CCCC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-11(2,3)7-5-4-6-8(10)9(12)13;/h8H,4-7,10H2,1-3H3;1H/p+1/t8-;/m0./s1
InChIKeyZKIJKCHCMFGMCM-QRPNPIFTSA-O
XLogP0.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(5S)-5-amino-5-carboxypentyl]-tris(trideuteriomethyl)azanium
CID 126455952
(2S)-2,6-diaminohexanoic acid;hexyl(trimethyl)azanium
CID 175204598
(2S)-2,6-diaminohexanoic acid;trimethyl(octadecyl)azanium
CID 175207333
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2,6-diaminoheptanedioic acid
CID 865
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride?
The IUPAC name of [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride (CID 174771032) is [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride.
What is the SMILES notation for [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride?
The canonical SMILES for [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride is C[N+](C)(C)CCCC[C@H](N)C(=O)O.Cl.
What is the InChIKey of [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride?
The InChIKey is ZKIJKCHCMFGMCM-QRPNPIFTSA-O. The full InChI is InChI=1S/C9H20N2O2.ClH/c1-11(2,3)7-5-4-6-8(10)9(12)13;/h8H,4-7,10H2,1-3H3;1H/p+1/t8-;/m0./s1.
What are the key properties of [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride?
[(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride has a molecular weight of 225.74 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride is sourced from PubChem (CID 174771032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).