3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride

C17H26Cl2N2O2 — CID 174428553

IUPAC3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride
SMILESCCCCCCC(N)(CC(=O)O)c1c[nH]c2ccccc12.Cl.Cl
InChIInChI=1S/C17H24N2O2.2ClH/c1-2-3-4-7-10-17(18,11-16(20)21)14-12-19-15-9-6-5-8-13(14)15;;/h5-6,8-9,12,19H,2-4,7,10-11,18H2,1H3,(H,20,21);2*1H
InChIKeyAKPAWGRTYGINHH-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.61
Rot. Bonds8

About 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride

3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride (PubChem CID 174428553) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride
PubChem CID174428553
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Name3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride
SMILESCCCCCCC(N)(CC(=O)O)c1c[nH]c2ccccc12.Cl.Cl
InChIInChI=1S/C17H24N2O2.2ClH/c1-2-3-4-7-10-17(18,11-16(20)21)14-12-19-15-9-6-5-8-13(14)15;;/h5-6,8-9,12,19H,2-4,7,10-11,18H2,1H3,(H,20,21);2*1H
InChIKeyAKPAWGRTYGINHH-UHFFFAOYSA-N
XLogP4.61
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174428555
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(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane
CID 159014454
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2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
2,6-bis(7-aminotridecan-7-yl)phenol
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2-(1H-indol-3-yl)propan-2-amine
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3-[2-amino-2-(1H-indol-3-yl)propanoyl]oxypropyl octadeca-6,9,12-trienoate
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2-amino-2-phenylnonanoic acid;hydrochloride
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CID 66739290

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride?
The IUPAC name of 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride (CID 174428553) is 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride.
What is the SMILES notation for 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride?
The canonical SMILES for 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride is CCCCCCC(N)(CC(=O)O)c1c[nH]c2ccccc12.Cl.Cl.
What is the InChIKey of 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride?
The InChIKey is AKPAWGRTYGINHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.2ClH/c1-2-3-4-7-10-17(18,11-16(20)21)14-12-19-15-9-6-5-8-13(14)15;;/h5-6,8-9,12,19H,2-4,7,10-11,18H2,1H3,(H,20,21);2*1H.
What are the key properties of 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride?
3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride has a molecular weight of 361.31 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1H-indol-3-yl)nonanoic acid;dihydrochloride is sourced from PubChem (CID 174428553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).