ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate

C19H18ClNO2 — CID 170885096

IUPACethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C19H18ClNO2/c1-2-23-19(22)17(21)11-16-12-7-3-5-9-14(12)18(20)15-10-6-4-8-13(15)16/h3-10,17H,2,11,21H2,1H3
InChIKeyMENIYFWEBJSTEQ-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.08
Rot. Bonds4

About ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate

ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate (PubChem CID 170885096) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate
PubChem CID170885096
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Nameethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C19H18ClNO2/c1-2-23-19(22)17(21)11-16-12-7-3-5-9-14(12)18(20)15-10-6-4-8-13(15)16/h3-10,17H,2,11,21H2,1H3
InChIKeyMENIYFWEBJSTEQ-UHFFFAOYSA-N
XLogP4.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-3-(10-methylanthracen-9-yl)propanoate
CID 170885097
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
ethyl 2-amino-3-(2-chloro-1-methylindol-3-yl)propanoate
CID 170884911
ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate
CID 131698761
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2S)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoate
CID 15343755
ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate
CID 170885105
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
2-[(10-chloroanthracen-9-yl)methyl]propanedioic acid
CID 154187172
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate (CID 170885096) is ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate is CCOC(=O)C(N)Cc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate?
The InChIKey is MENIYFWEBJSTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-2-23-19(22)17(21)11-16-12-7-3-5-9-14(12)18(20)15-10-6-4-8-13(15)16/h3-10,17H,2,11,21H2,1H3.
What are the key properties of ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate?
ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate has a molecular weight of 327.81 g/mol, XLogP of 4.08, 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-(10-chloroanthracen-9-yl)propanoate is sourced from PubChem (CID 170885096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).