CID 132577907

C23H39N3O8+ — CID 132577907

IUPAC—
SMILESCC(C)CN(OC(=[O+])CCC(=O)O)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C23H39N3O8/c1-16(2)13-26(34-20(29)7-6-19(27)28)18-12-17(21(30)24-8-10-32-11-9-24)14-25(15-18)22(31)33-23(3,4)5/h16-18H,6-15H2,1-5H3,(H,27,28)/q+1/t17-,18+/m1/s1
InChIKeySSECQZHUBPTXME-MSOLQXFVSA-N
MW485.58 g/mol
LogP1.75
Rot. Bonds8

About CID 132577907

CID 132577907 (PubChem CID 132577907) has the molecular formula C23H39N3O8+ and a molecular weight of 485.58 g/mol.

Molecular Properties

Compound NameCID 132577907
PubChem CID132577907
Molecular FormulaC23H39N3O8+
Molecular Weight485.58 g/mol
Exact Mass485.27
IUPAC Name—
SMILESCC(C)CN(OC(=[O+])CCC(=O)O)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C23H39N3O8/c1-16(2)13-26(34-20(29)7-6-19(27)28)18-12-17(21(30)24-8-10-32-11-9-24)14-25(15-18)22(31)33-23(3,4)5/h16-18H,6-15H2,1-5H3,(H,27,28)/q+1/t17-,18+/m1/s1
InChIKeySSECQZHUBPTXME-MSOLQXFVSA-N
XLogP1.75
TPSA128.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 132577907 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

tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 59356577
tert-butyl 3-[[(3S)-2-methylidene-3-phenylsulfanylbutanoyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 163737444
tert-butyl (3S,5R)-3-[2-methylpropyl-[1-(2-phenylethyl)indole-2-carbonyl]amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 59356600
tert-butyl (3R,5S)-3-(morpholine-4-carbonyl)-5-(2-sulfanylpropylamino)piperidine-1-carboxylate
CID 151062802
tert-butyl (3R,5S)-3-(morpholine-4-carbonyl)-5-(propylamino)piperidine-1-carboxylate
CID 58355640
tert-butyl (3S)-3-[[5-(4-methoxybutyl)-1-phenylpyrazole-4-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 163811468
tert-butyl (3S,5R)-3-[[1-(4-methoxybutyl)-7-oxo-5,6-dihydro-4H-indole-2-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 58355174
tert-butyl (3R,5R)-3-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 70883466
tert-butyl (5R)-3-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 58355542
tert-butyl (3S,5R)-3-[[5-(bromomethyl)-1-(2-fluorophenyl)triazole-4-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 58355381
tert-butyl (3S,5R)-3-[[1-cyclohexa-1,3-dien-1-yl-5-(4-hydroxybutyl)-2-methyl-4,5-dihydroimidazole-4-carbonyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 70237640
butane;tert-butyl 3-[[(Z)-2-amino-3-(N-amino-2-fluoroanilino)pent-2-enoyl]-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 143914414

Frequently Asked Questions

What is the IUPAC name of CID 132577907?
The IUPAC name of CID 132577907 (CID 132577907) is not available.
What is the SMILES notation for CID 132577907?
The canonical SMILES for CID 132577907 is CC(C)CN(OC(=[O+])CCC(=O)O)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of CID 132577907?
The InChIKey is SSECQZHUBPTXME-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H39N3O8/c1-16(2)13-26(34-20(29)7-6-19(27)28)18-12-17(21(30)24-8-10-32-11-9-24)14-25(15-18)22(31)33-23(3,4)5/h16-18H,6-15H2,1-5H3,(H,27,28)/q+1/t17-,18+/m1/s1.
What are the key properties of CID 132577907?
CID 132577907 has a molecular weight of 485.58 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132577907 is sourced from PubChem (CID 132577907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).