[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate

C25H22N6O3 — CID 41153030

IUPAC[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccc(-n4cnnn4)cc3)ccc21
InChIInChI=1S/C25H22N6O3/c1-3-30-22-7-5-4-6-20(22)21-14-18(10-13-23(21)30)27-24(32)16(2)34-25(33)17-8-11-19(12-9-17)31-15-26-28-29-31/h4-16H,3H2,1-2H3,(H,27,32)/t16-/m0/s1
InChIKeyLUAICHYKIVTMTH-INIZCTEOSA-N
MW454.49 g/mol
LogP3.97
Rot. Bonds6

About [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate

[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate (PubChem CID 41153030) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
PubChem CID41153030
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC Name[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccc(-n4cnnn4)cc3)ccc21
InChIInChI=1S/C25H22N6O3/c1-3-30-22-7-5-4-6-20(22)21-14-18(10-13-23(21)30)27-24(32)16(2)34-25(33)17-8-11-19(12-9-17)31-15-26-28-29-31/h4-16H,3H2,1-2H3,(H,27,32)/t16-/m0/s1
InChIKeyLUAICHYKIVTMTH-INIZCTEOSA-N
XLogP3.97
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9-ethylcarbazol-3-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52576497
[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 42979596
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 2668604
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7274848
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 7274835
(1-anilino-1-oxopropan-2-yl) 3-(tetrazol-1-yl)benzoate
CID 18081042
[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 8953144
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 2452104
[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 7500770
[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] (E)-but-2-enoate
CID 7981141
[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 16796735
[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 16525702

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate (CID 41153030) is [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate is CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccc(-n4cnnn4)cc3)ccc21.
What is the InChIKey of [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is LUAICHYKIVTMTH-INIZCTEOSA-N. The full InChI is InChI=1S/C25H22N6O3/c1-3-30-22-7-5-4-6-20(22)21-14-18(10-13-23(21)30)27-24(32)16(2)34-25(33)17-8-11-19(12-9-17)31-15-26-28-29-31/h4-16H,3H2,1-2H3,(H,27,32)/t16-/m0/s1.
What are the key properties of [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate?
[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 454.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 41153030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).