methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate

C15H18N2O2 — CID 65333695

IUPACmethyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
SMILESCOC(=O)CNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H18N2O2/c1-19-14(18)9-16-13-8-4-6-11-10-5-2-3-7-12(10)17-15(11)13/h2-3,5,7,13,16-17H,4,6,8-9H2,1H3
InChIKeyXWIAKDRGVUVWSL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.31
Rot. Bonds3

About methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate

methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate (PubChem CID 65333695) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
PubChem CID65333695
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
SMILESCOC(=O)CNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H18N2O2/c1-19-14(18)9-16-13-8-4-6-11-10-5-2-3-7-12(10)17-15(11)13/h2-3,5,7,13,16-17H,4,6,8-9H2,1H3
InChIKeyXWIAKDRGVUVWSL-UHFFFAOYSA-N
XLogP2.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.31
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

2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
CID 66168801
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65333850
N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 107416848
N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333957
2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol
CID 114756055

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate?
The IUPAC name of methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate (CID 65333695) is methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate.
What is the SMILES notation for methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate?
The canonical SMILES for methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate is COC(=O)CNC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate?
The InChIKey is XWIAKDRGVUVWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-14(18)9-16-13-8-4-6-11-10-5-2-3-7-12(10)17-15(11)13/h2-3,5,7,13,16-17H,4,6,8-9H2,1H3.
What are the key properties of methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate?
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate has a molecular weight of 258.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate is sourced from PubChem (CID 65333695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).