(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid

C16H14ClNO2 — CID 124518181

IUPAC(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid
SMILESC[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C)c2c1
InChIInChI=1S/C16H14ClNO2/c1-9(16(19)20)10-3-5-12-13-8-11(17)4-6-14(13)18(2)15(12)7-10/h3-9H,1-2H3,(H,19,20)/t9-/m0/s1
InChIKeyUMFUSWPRRINICR-VIFPVBQESA-N
MW287.75 g/mol
LogP4.17
Rot. Bonds2

About (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid

(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid (PubChem CID 124518181) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid
PubChem CID124518181
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid
SMILESC[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C)c2c1
InChIInChI=1S/C16H14ClNO2/c1-9(16(19)20)10-3-5-12-13-8-11(17)4-6-14(13)18(2)15(12)7-10/h3-9H,1-2H3,(H,19,20)/t9-/m0/s1
InChIKeyUMFUSWPRRINICR-VIFPVBQESA-N
XLogP4.17
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid?
The IUPAC name of (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid (CID 124518181) is (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid is C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(C)c2c1.
What is the InChIKey of (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid?
The InChIKey is UMFUSWPRRINICR-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-9(16(19)20)10-3-5-12-13-8-11(17)4-6-14(13)18(2)15(12)7-10/h3-9H,1-2H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid?
(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid has a molecular weight of 287.75 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid is sourced from PubChem (CID 124518181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).