[(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate

C9H20N2O5 — CID 139776614

IUPAC[(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].NCCCC[C@H]([NH3+])C(=O)O
InChIInChI=1S/C6H14N2O2.C3H6O3/c7-4-2-1-3-5(8)6(9)10;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);2,4H,1H3,(H,5,6)/t5-;/m0./s1
InChIKeyGBRIDGNTDLIRMN-JEDNCBNOSA-N
MW236.27 g/mol
LogP-3.07
Rot. Bonds6

About [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate

[(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate (PubChem CID 139776614) has the molecular formula C9H20N2O5 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate.

Molecular Properties

Compound Name[(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate
PubChem CID139776614
Molecular FormulaC9H20N2O5
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name[(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].NCCCC[C@H]([NH3+])C(=O)O
InChIInChI=1S/C6H14N2O2.C3H6O3/c7-4-2-1-3-5(8)6(9)10;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);2,4H,1H3,(H,5,6)/t5-;/m0./s1
InChIKeyGBRIDGNTDLIRMN-JEDNCBNOSA-N
XLogP-3.07
TPSA151.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-3.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate?
The IUPAC name of [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate (CID 139776614) is [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate.
What is the SMILES notation for [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate?
The canonical SMILES for [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate is CC(O)C(=O)[O-].NCCCC[C@H]([NH3+])C(=O)O.
What is the InChIKey of [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate?
The InChIKey is GBRIDGNTDLIRMN-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.C3H6O3/c7-4-2-1-3-5(8)6(9)10;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);2,4H,1H3,(H,5,6)/t5-;/m0./s1.
What are the key properties of [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate?
[(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate has a molecular weight of 236.27 g/mol, XLogP of -3.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate is sourced from PubChem (CID 139776614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).