carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide

C26H31N3O8 — CID 160912472

IUPACcarbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide
SMILESCCOCCOCCNC(=O)[C@H](CC(N)=O)CC(=O)OCn1c2ccccc2c2ccccc21.O=C=O
InChIInChI=1S/C25H31N3O6.CO2/c1-2-32-13-14-33-12-11-27-25(31)18(15-23(26)29)16-24(30)34-17-28-21-9-5-3-7-19(21)20-8-4-6-10-22(20)28;2-1-3/h3-10,18H,2,11-17H2,1H3,(H2,26,29)(H,27,31);/t18-;/m1./s1
InChIKeySQYXSMGMZAZUJF-GMUIIQOCSA-N
MW513.55 g/mol
LogP1.76
Rot. Bonds14

About carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide

carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide (PubChem CID 160912472) has the molecular formula C26H31N3O8 and a molecular weight of 513.55 g/mol. Its IUPAC name is carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide.

Molecular Properties

Compound Namecarbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide
PubChem CID160912472
Molecular FormulaC26H31N3O8
Molecular Weight513.55 g/mol
Exact Mass513.21
IUPAC Namecarbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide
SMILESCCOCCOCCNC(=O)[C@H](CC(N)=O)CC(=O)OCn1c2ccccc2c2ccccc21.O=C=O
InChIInChI=1S/C25H31N3O6.CO2/c1-2-32-13-14-33-12-11-27-25(31)18(15-23(26)29)16-24(30)34-17-28-21-9-5-3-7-19(21)20-8-4-6-10-22(20)28;2-1-3/h3-10,18H,2,11-17H2,1H3,(H2,26,29)(H,27,31);/t18-;/m1./s1
InChIKeySQYXSMGMZAZUJF-GMUIIQOCSA-N
XLogP1.76
TPSA156.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.55
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

carbazol-9-ylmethyl propanoate
CID 122502701
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
9H-fluoren-9-ylmethyl (3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-6-[(N'-methylcarbamimidoyl)amino]hexanoate
CID 158622214
tert-butyl (4R)-4-[2-(2-ethoxyethoxy)ethylcarbamoyl]-8-[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]indol-1-yl]-6-oxooctanoate;carbon dioxide
CID 161065257
N-(3-ethoxypropyl)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043949
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
methyl 2-carbazol-9-ylacetate
CID 3745219
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole
CID 138520058
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
9-butan-2-ylcarbazole;2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate
CID 90928958

Frequently Asked Questions

What is the IUPAC name of carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide?
The IUPAC name of carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide (CID 160912472) is carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide.
What is the SMILES notation for carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide?
The canonical SMILES for carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide is CCOCCOCCNC(=O)[C@H](CC(N)=O)CC(=O)OCn1c2ccccc2c2ccccc21.O=C=O.
What is the InChIKey of carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide?
The InChIKey is SQYXSMGMZAZUJF-GMUIIQOCSA-N. The full InChI is InChI=1S/C25H31N3O6.CO2/c1-2-32-13-14-33-12-11-27-25(31)18(15-23(26)29)16-24(30)34-17-28-21-9-5-3-7-19(21)20-8-4-6-10-22(20)28;2-1-3/h3-10,18H,2,11-17H2,1H3,(H2,26,29)(H,27,31);/t18-;/m1./s1.
What are the key properties of carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide?
carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide has a molecular weight of 513.55 g/mol, XLogP of 1.76, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbazol-9-ylmethyl (3R)-5-amino-3-[2-(2-ethoxyethoxy)ethylcarbamoyl]-5-oxopentanoate;carbon dioxide is sourced from PubChem (CID 160912472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).