(2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid

C15H15ClN2O3 — CID 73010405

IUPAC(2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid
SMILESNC(=O)Cn1c2c(c3cc(Cl)ccc31)CC[C@@H](C(=O)O)C2
InChIInChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1
InChIKeyWEITVQPGVPEPAZ-MRVPVSSYSA-N
MW306.75 g/mol
LogP1.97
Rot. Bonds3

About (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid

(2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid (PubChem CID 73010405) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid
PubChem CID73010405
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name(2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid
SMILESNC(=O)Cn1c2c(c3cc(Cl)ccc31)CC[C@@H](C(=O)O)C2
InChIInChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1
InChIKeyWEITVQPGVPEPAZ-MRVPVSSYSA-N
XLogP1.97
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid?
The IUPAC name of (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid (CID 73010405) is (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid.
What is the SMILES notation for (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid?
The canonical SMILES for (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid is NC(=O)Cn1c2c(c3cc(Cl)ccc31)CC[C@@H](C(=O)O)C2.
What is the InChIKey of (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid?
The InChIKey is WEITVQPGVPEPAZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1.
What are the key properties of (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid?
(2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-9-(2-amino-2-oxoethyl)-6-chloro-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid is sourced from PubChem (CID 73010405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).