methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate

C18H18N2O2S — CID 83985784

IUPACmethyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1cc2c(s1)CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C18H18N2O2S/c1-22-18(21)14(19)9-10-8-13-16(23-10)7-6-12-11-4-2-3-5-15(11)20-17(12)13/h2-5,8,14,20H,6-7,9,19H2,1H3
InChIKeyPTZSZUWIJPHYRK-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.04
Rot. Bonds3

About methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate

methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate (PubChem CID 83985784) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate
PubChem CID83985784
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Namemethyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1cc2c(s1)CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C18H18N2O2S/c1-22-18(21)14(19)9-10-8-13-16(23-10)7-6-12-11-4-2-3-5-15(11)20-17(12)13/h2-5,8,14,20H,6-7,9,19H2,1H3
InChIKeyPTZSZUWIJPHYRK-UHFFFAOYSA-N
XLogP3.04
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)acetic acid
CID 83985780
5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid
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methyl 2-amino-3-phenylpropanoate;dihydrochloride
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2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
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methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
CID 117390881
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 12762686
(2S)-2-amino-3-phenylpropanoic acid;methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
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ethanol;methyl 2-amino-3-phenylpropanoate;hydrochloride
CID 174956794

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate (CID 83985784) is methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate is COC(=O)C(N)Cc1cc2c(s1)CCc1c-2[nH]c2ccccc12.
What is the InChIKey of methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate?
The InChIKey is PTZSZUWIJPHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-22-18(21)14(19)9-10-8-13-16(23-10)7-6-12-11-4-2-3-5-15(11)20-17(12)13/h2-5,8,14,20H,6-7,9,19H2,1H3.
What are the key properties of methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate?
methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate has a molecular weight of 326.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(5,10-dihydro-4H-thieno[3,2-a]carbazol-2-yl)propanoate is sourced from PubChem (CID 83985784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).