6-aminohex-5-ynoic acid;hydrochloride

C6H10ClNO2 — CID 53302039

IUPAC6-aminohex-5-ynoic acid;hydrochloride
SMILESCl.NC#CCCCC(=O)O
InChIInChI=1S/C6H9NO2.ClH/c7-5-3-1-2-4-6(8)9;/h1-2,4,7H2,(H,8,9);1H
InChIKeyULMLKMNICKNZFO-UHFFFAOYSA-N
MW163.60 g/mol
LogP0.58
Rot. Bonds3

About 6-aminohex-5-ynoic acid;hydrochloride

6-aminohex-5-ynoic acid;hydrochloride (PubChem CID 53302039) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 6-aminohex-5-ynoic acid;hydrochloride.

Molecular Properties

Compound Name6-aminohex-5-ynoic acid;hydrochloride
PubChem CID53302039
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name6-aminohex-5-ynoic acid;hydrochloride
SMILESCl.NC#CCCCC(=O)O
InChIInChI=1S/C6H9NO2.ClH/c7-5-3-1-2-4-6(8)9;/h1-2,4,7H2,(H,8,9);1H
InChIKeyULMLKMNICKNZFO-UHFFFAOYSA-N
XLogP0.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 14631215
icosa-4,16-diynedioic acid
CID 121000180
tricosa-10,12-diynedioic acid
CID 3516470
7,7-dimethyloct-5-ynoic acid
CID 126973766
hexadec-5-ynoic acid
CID 15958429
16-hydroxyhexadeca-5,8,11-triynoic acid
CID 123580508
9-oxodec-4-ynoic acid
CID 12893740
heptanedioic acid;dihydrochloride
CID 87431923
bismuthane;dodecanedioic acid
CID 173224414
hexanedioic acid;λ2-stannane;hydrochloride
CID 174930220
icosa-5,11,14-triynoic acid
CID 3082413
4-aminobutanoic acid;dihydrochloride
CID 87111723

Frequently Asked Questions

What is the IUPAC name of 6-aminohex-5-ynoic acid;hydrochloride?
The IUPAC name of 6-aminohex-5-ynoic acid;hydrochloride (CID 53302039) is 6-aminohex-5-ynoic acid;hydrochloride.
What is the SMILES notation for 6-aminohex-5-ynoic acid;hydrochloride?
The canonical SMILES for 6-aminohex-5-ynoic acid;hydrochloride is Cl.NC#CCCCC(=O)O.
What is the InChIKey of 6-aminohex-5-ynoic acid;hydrochloride?
The InChIKey is ULMLKMNICKNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c7-5-3-1-2-4-6(8)9;/h1-2,4,7H2,(H,8,9);1H.
What are the key properties of 6-aminohex-5-ynoic acid;hydrochloride?
6-aminohex-5-ynoic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohex-5-ynoic acid;hydrochloride is sourced from PubChem (CID 53302039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).