ethyl 3-(3-aminocarbazol-9-yl)propanoate

C17H18N2O2 — CID 12051457

IUPACethyl 3-(3-aminocarbazol-9-yl)propanoate
SMILESCCOC(=O)CCn1c2ccccc2c2cc(N)ccc21
InChIInChI=1S/C17H18N2O2/c1-2-21-17(20)9-10-19-15-6-4-3-5-13(15)14-11-12(18)7-8-16(14)19/h3-8,11H,2,9-10,18H2,1H3
InChIKeyMHXGKBNGAJXJDS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.33
Rot. Bonds4

About ethyl 3-(3-aminocarbazol-9-yl)propanoate

ethyl 3-(3-aminocarbazol-9-yl)propanoate (PubChem CID 12051457) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 3-(3-aminocarbazol-9-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-aminocarbazol-9-yl)propanoate
PubChem CID12051457
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nameethyl 3-(3-aminocarbazol-9-yl)propanoate
SMILESCCOC(=O)CCn1c2ccccc2c2cc(N)ccc21
InChIInChI=1S/C17H18N2O2/c1-2-21-17(20)9-10-19-15-6-4-3-5-13(15)14-11-12(18)7-8-16(14)19/h3-8,11H,2,9-10,18H2,1H3
InChIKeyMHXGKBNGAJXJDS-UHFFFAOYSA-N
XLogP3.33
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-aminocarbazol-9-yl)propanoate?
The IUPAC name of ethyl 3-(3-aminocarbazol-9-yl)propanoate (CID 12051457) is ethyl 3-(3-aminocarbazol-9-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-aminocarbazol-9-yl)propanoate?
The canonical SMILES for ethyl 3-(3-aminocarbazol-9-yl)propanoate is CCOC(=O)CCn1c2ccccc2c2cc(N)ccc21.
What is the InChIKey of ethyl 3-(3-aminocarbazol-9-yl)propanoate?
The InChIKey is MHXGKBNGAJXJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-21-17(20)9-10-19-15-6-4-3-5-13(15)14-11-12(18)7-8-16(14)19/h3-8,11H,2,9-10,18H2,1H3.
What are the key properties of ethyl 3-(3-aminocarbazol-9-yl)propanoate?
ethyl 3-(3-aminocarbazol-9-yl)propanoate has a molecular weight of 282.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-aminocarbazol-9-yl)propanoate is sourced from PubChem (CID 12051457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).