disodium;hydride;4-(1H-indol-3-yl)butanoic acid

C12H15NNa2O2 — CID 174726095

IUPACdisodium;hydride;4-(1H-indol-3-yl)butanoic acid
SMILESO=C(O)CCCc1c[nH]c2ccccc12.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C12H13NO2.2Na.2H/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;;;;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);;;;/q;2*+1;2*-1
InChIKeyFTTMEVQFYZGHDS-UHFFFAOYSA-N
MW251.24 g/mol
LogP-3.19
Rot. Bonds4

About disodium;hydride;4-(1H-indol-3-yl)butanoic acid

disodium;hydride;4-(1H-indol-3-yl)butanoic acid (PubChem CID 174726095) has the molecular formula C12H15NNa2O2 and a molecular weight of 251.24 g/mol. Its IUPAC name is disodium;hydride;4-(1H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Namedisodium;hydride;4-(1H-indol-3-yl)butanoic acid
PubChem CID174726095
Molecular FormulaC12H15NNa2O2
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Namedisodium;hydride;4-(1H-indol-3-yl)butanoic acid
SMILESO=C(O)CCCc1c[nH]c2ccccc12.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C12H13NO2.2Na.2H/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;;;;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);;;;/q;2*+1;2*-1
InChIKeyFTTMEVQFYZGHDS-UHFFFAOYSA-N
XLogP-3.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-3.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
CID 174964021
4-(1H-indol-3-yl)butanamide
CID 588715
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid
CID 582674
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
CID 149029934
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;4-(1H-indol-3-yl)butanoic acid?
The IUPAC name of disodium;hydride;4-(1H-indol-3-yl)butanoic acid (CID 174726095) is disodium;hydride;4-(1H-indol-3-yl)butanoic acid.
What is the SMILES notation for disodium;hydride;4-(1H-indol-3-yl)butanoic acid?
The canonical SMILES for disodium;hydride;4-(1H-indol-3-yl)butanoic acid is O=C(O)CCCc1c[nH]c2ccccc12.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;4-(1H-indol-3-yl)butanoic acid?
The InChIKey is FTTMEVQFYZGHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.2Na.2H/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;;;;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;4-(1H-indol-3-yl)butanoic acid?
disodium;hydride;4-(1H-indol-3-yl)butanoic acid has a molecular weight of 251.24 g/mol, XLogP of -3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;4-(1H-indol-3-yl)butanoic acid is sourced from PubChem (CID 174726095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).