methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate

C19H26N2O2 — CID 97308735

IUPACmethyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate
SMILESCCCC[C@@H](N[C@@H]1CCc2[nH]c3ccccc3c2C1)C(=O)OC
InChIInChI=1S/C19H26N2O2/c1-3-4-8-18(19(22)23-2)20-13-10-11-17-15(12-13)14-7-5-6-9-16(14)21-17/h5-7,9,13,18,20-21H,3-4,8,10-12H2,1-2H3/t13-,18-/m1/s1
InChIKeyWRDQIYSTYAHSNH-FZKQIMNGSA-N
MW314.43 g/mol
LogP3.35
Rot. Bonds6

About methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate

methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate (PubChem CID 97308735) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate
PubChem CID97308735
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namemethyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate
SMILESCCCC[C@@H](N[C@@H]1CCc2[nH]c3ccccc3c2C1)C(=O)OC
InChIInChI=1S/C19H26N2O2/c1-3-4-8-18(19(22)23-2)20-13-10-11-17-15(12-13)14-7-5-6-9-16(14)21-17/h5-7,9,13,18,20-21H,3-4,8,10-12H2,1-2H3/t13-,18-/m1/s1
InChIKeyWRDQIYSTYAHSNH-FZKQIMNGSA-N
XLogP3.35
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.35
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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Related Compounds

3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 154734790
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
methyl 2-(cyclopent-3-en-1-ylamino)hexanoate
CID 103868518
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
methyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate
CID 67164327
methyl 4-methyl-2-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]pentanoate
CID 18284651

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate?
The IUPAC name of methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate (CID 97308735) is methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate.
What is the SMILES notation for methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate?
The canonical SMILES for methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate is CCCC[C@@H](N[C@@H]1CCc2[nH]c3ccccc3c2C1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate?
The InChIKey is WRDQIYSTYAHSNH-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-4-8-18(19(22)23-2)20-13-10-11-17-15(12-13)14-7-5-6-9-16(14)21-17/h5-7,9,13,18,20-21H,3-4,8,10-12H2,1-2H3/t13-,18-/m1/s1.
What are the key properties of methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate?
methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate has a molecular weight of 314.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate is sourced from PubChem (CID 97308735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).