2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid

C18H20N2O3 — CID 2964722

IUPAC2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid
SMILESCC(NCC(O)Cn1c2ccccc2c2ccccc21)C(=O)O
InChIInChI=1S/C18H20N2O3/c1-12(18(22)23)19-10-13(21)11-20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)20/h2-9,12-13,19,21H,10-11H2,1H3,(H,22,23)
InChIKeyBOOPJKPMMIBCMF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.22
Rot. Bonds6

About 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid

2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid (PubChem CID 2964722) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid
PubChem CID2964722
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid
SMILESCC(NCC(O)Cn1c2ccccc2c2ccccc21)C(=O)O
InChIInChI=1S/C18H20N2O3/c1-12(18(22)23)19-10-13(21)11-20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)20/h2-9,12-13,19,21H,10-11H2,1H3,(H,22,23)
InChIKeyBOOPJKPMMIBCMF-UHFFFAOYSA-N
XLogP2.22
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid (CID 2964722) is 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid is CC(NCC(O)Cn1c2ccccc2c2ccccc21)C(=O)O.
What is the InChIKey of 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid?
The InChIKey is BOOPJKPMMIBCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(18(22)23)19-10-13(21)11-20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)20/h2-9,12-13,19,21H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid?
2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 2964722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).