2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid

C22H32N2O5 — CID 68673865

IUPAC2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid
SMILESCC(C)CN(Cc1ccc2c(c1)C(O)CCCC2)C(=O)C1CN(C(=O)O)CCO1
InChIInChI=1S/C22H32N2O5/c1-15(2)12-24(21(26)20-14-23(22(27)28)9-10-29-20)13-16-7-8-17-5-3-4-6-19(25)18(17)11-16/h7-8,11,15,19-20,25H,3-6,9-10,12-14H2,1-2H3,(H,27,28)
InChIKeyOXDRPMQLOBSHKI-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.81
Rot. Bonds5

About 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid

2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid (PubChem CID 68673865) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid
PubChem CID68673865
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid
SMILESCC(C)CN(Cc1ccc2c(c1)C(O)CCCC2)C(=O)C1CN(C(=O)O)CCO1
InChIInChI=1S/C22H32N2O5/c1-15(2)12-24(21(26)20-14-23(22(27)28)9-10-29-20)13-16-7-8-17-5-3-4-6-19(25)18(17)11-16/h7-8,11,15,19-20,25H,3-6,9-10,12-14H2,1-2H3,(H,27,28)
InChIKeyOXDRPMQLOBSHKI-UHFFFAOYSA-N
XLogP2.81
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid 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

2-[2-methylpropyl-[[5-(oxan-2-yloxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]methyl]carbamoyl]morpholine-4-carboxylic acid
CID 68673406
N-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-4-[(2-methoxyphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide;hydrochloride
CID 68673896
4-cyclopentyl-N-(3,4-dihydro-2H-thiochromen-7-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide;ethane
CID 143482952
N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 68675396
N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 68673290
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432266
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432220
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-(2-phenyl-1-thiophen-2-ylethyl)morpholine-2-carboxamide
CID 91376728
4-benzyl-N-(3,4-dihydro-2H-[1,4]dioxepino[2,3-b]pyridin-8-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 58080482
4-benzyl-N-[(3-methyl-4-pentylphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 71190653
(2S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432219
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014448

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid (CID 68673865) is 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid is CC(C)CN(Cc1ccc2c(c1)C(O)CCCC2)C(=O)C1CN(C(=O)O)CCO1.
What is the InChIKey of 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid?
The InChIKey is OXDRPMQLOBSHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-15(2)12-24(21(26)20-14-23(22(27)28)9-10-29-20)13-16-7-8-17-5-3-4-6-19(25)18(17)11-16/h7-8,11,15,19-20,25H,3-6,9-10,12-14H2,1-2H3,(H,27,28).
What are the key properties of 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid?
2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid has a molecular weight of 404.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl-(2-methylpropyl)carbamoyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 68673865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).