(2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate

C19H19N2O5- — CID 2146009

IUPAC(2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate
SMILESO=C([O-])C[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C(=O)[O-]
InChIInChI=1S/C19H20N2O5/c22-12(10-20-15(19(25)26)9-18(23)24)11-21-16-7-3-1-5-13(16)14-6-2-4-8-17(14)21/h1-8,12,15,20,22H,9-11H2,(H,23,24)(H,25,26)/p-1/t12-,15-/m0/s1
InChIKeySTHFIPLOWBFUDJ-WFASDCNBSA-M
MW355.37 g/mol
LogP-2.02
Rot. Bonds8

About (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate

(2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate (PubChem CID 2146009) has the molecular formula C19H19N2O5- and a molecular weight of 355.37 g/mol. Its IUPAC name is (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate.

Molecular Properties

Compound Name(2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate
PubChem CID2146009
Molecular FormulaC19H19N2O5-
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name(2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate
SMILESO=C([O-])C[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C(=O)[O-]
InChIInChI=1S/C19H20N2O5/c22-12(10-20-15(19(25)26)9-18(23)24)11-21-16-7-3-1-5-13(16)14-6-2-4-8-17(14)21/h1-8,12,15,20,22H,9-11H2,(H,23,24)(H,25,26)/p-1/t12-,15-/m0/s1
InChIKeySTHFIPLOWBFUDJ-WFASDCNBSA-M
XLogP-2.02
TPSA122.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
CID 991448
[(2R)-1-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]propan-2-yl]carbamic acid
CID 118415459
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
CID 798463
5-carbazol-9-yl-4-hydroxypent-1-en-3-one
CID 174669018
1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
CID 70682192
(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol
CID 2053269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate?
The IUPAC name of (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate (CID 2146009) is (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate.
What is the SMILES notation for (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate?
The canonical SMILES for (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate is O=C([O-])C[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C(=O)[O-].
What is the InChIKey of (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate?
The InChIKey is STHFIPLOWBFUDJ-WFASDCNBSA-M. The full InChI is InChI=1S/C19H20N2O5/c22-12(10-20-15(19(25)26)9-18(23)24)11-21-16-7-3-1-5-13(16)14-6-2-4-8-17(14)21/h1-8,12,15,20,22H,9-11H2,(H,23,24)(H,25,26)/p-1/t12-,15-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate?
(2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate has a molecular weight of 355.37 g/mol, XLogP of -2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]azaniumyl]butanedioate is sourced from PubChem (CID 2146009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).