ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride

C18H20ClNO2 — CID 70243578

IUPACethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-2-21-18(20)17(19)10-12-7-8-16-14(9-12)11-13-5-3-4-6-15(13)16;/h3-9,17H,2,10-11,19H2,1H3;1H
InChIKeyFXGHHNZITNFELB-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.11
Rot. Bonds4

About ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride

ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride (PubChem CID 70243578) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride
PubChem CID70243578
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Nameethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride
SMILESCCOC(=O)C(N)Cc1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-2-21-18(20)17(19)10-12-7-8-16-14(9-12)11-13-5-3-4-6-15(13)16;/h3-9,17H,2,10-11,19H2,1H3;1H
InChIKeyFXGHHNZITNFELB-UHFFFAOYSA-N
XLogP3.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride (CID 70243578) is ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride is CCOC(=O)C(N)Cc1ccc2c(c1)Cc1ccccc1-2.Cl.
What is the InChIKey of ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride?
The InChIKey is FXGHHNZITNFELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c1-2-21-18(20)17(19)10-12-7-8-16-14(9-12)11-13-5-3-4-6-15(13)16;/h3-9,17H,2,10-11,19H2,1H3;1H.
What are the key properties of ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride?
ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride is sourced from PubChem (CID 70243578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).