(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate

C15H11ClNO2- — CID 6919166

IUPAC(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
SMILESC[C@H](C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/p-1/t8-/m0/s1
InChIKeyPUXBGTOOZJQSKH-QMMMGPOBSA-M
MW272.71 g/mol
LogP2.83
Rot. Bonds2

About (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate

(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate (PubChem CID 6919166) has the molecular formula C15H11ClNO2- and a molecular weight of 272.71 g/mol. Its IUPAC name is (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate.

Molecular Properties

Compound Name(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
PubChem CID6919166
Molecular FormulaC15H11ClNO2-
Molecular Weight272.71 g/mol
Exact Mass272.05
IUPAC Name(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
SMILESC[C@H](C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/p-1/t8-/m0/s1
InChIKeyPUXBGTOOZJQSKH-QMMMGPOBSA-M
XLogP2.83
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
CID 71483149
2-(6-chloro-9H-carbazol-2-yl)-N-methylpropanamide
CID 71482982
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
CID 41062678
(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid;(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid;tris(4-pyridin-4-ylpyridine)
CID 139196134
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(4-methylphenyl)propanamide
CID 41010161
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 41087768
1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 68796215
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 97266964
2-(6-chloro-9H-carbazol-2-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 71710526
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 40918719
2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite
CID 70822041
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 41062772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate?
The IUPAC name of (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate (CID 6919166) is (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate.
What is the SMILES notation for (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate?
The canonical SMILES for (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate is C[C@H](C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate?
The InChIKey is PUXBGTOOZJQSKH-QMMMGPOBSA-M. The full InChI is InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/p-1/t8-/m0/s1.
What are the key properties of (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate?
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate has a molecular weight of 272.71 g/mol, XLogP of 2.83, 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-9H-carbazol-2-yl)propanoate is sourced from PubChem (CID 6919166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).