CID 123948130

C18H26BN2O4 — CID 123948130

IUPAC—
SMILESC[B]c1ccc(CNC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H26BN2O4/c1-18(2,3)25-17(24)21-11-14(22)9-15(21)16(23)20-10-12-5-7-13(19-4)8-6-12/h5-8,14-15,22H,9-11H2,1-4H3,(H,20,23)
InChIKeyKSYYFRZSUJVJHG-UHFFFAOYSA-N
MW345.23 g/mol
LogP1.05
Rot. Bonds4

About CID 123948130

CID 123948130 (PubChem CID 123948130) has the molecular formula C18H26BN2O4 and a molecular weight of 345.23 g/mol.

Molecular Properties

Compound NameCID 123948130
PubChem CID123948130
Molecular FormulaC18H26BN2O4
Molecular Weight345.23 g/mol
Exact Mass345.20
IUPAC Name—
SMILESC[B]c1ccc(CNC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H26BN2O4/c1-18(2,3)25-17(24)21-11-14(22)9-15(21)16(23)20-10-12-5-7-13(19-4)8-6-12/h5-8,14-15,22H,9-11H2,1-4H3,(H,20,23)
InChIKeyKSYYFRZSUJVJHG-UHFFFAOYSA-N
XLogP1.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 123948130 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 (2S,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 122539904
tert-butyl N-[(2R)-1-[(2S,4R)-2-[(4-bromophenyl)methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 167723407
(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 136581459
tert-butyl 4-hydroxy-2-[(2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 23931436
tert-butyl (2S,4R)-2-[(2-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 41373933
tert-butyl (2S,4R)-4-hydroxy-2-[(4-methoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 59902809
tert-butyl (2S,4R)-2-[[(2S)-butan-2-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 41374897
tert-butyl 3-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 4904980
tert-butyl (2R,4R)-4-hydroxy-2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 166771165
tert-butyl (2R)-4-(benzylcarbamoyl)-2-methylpyrrolidine-1-carboxylate
CID 67435670
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
tert-butyl (2S,4S)-4-hydroxy-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70176092

Frequently Asked Questions

What is the IUPAC name of CID 123948130?
The IUPAC name of CID 123948130 (CID 123948130) is not available.
What is the SMILES notation for CID 123948130?
The canonical SMILES for CID 123948130 is C[B]c1ccc(CNC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of CID 123948130?
The InChIKey is KSYYFRZSUJVJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BN2O4/c1-18(2,3)25-17(24)21-11-14(22)9-15(21)16(23)20-10-12-5-7-13(19-4)8-6-12/h5-8,14-15,22H,9-11H2,1-4H3,(H,20,23).
What are the key properties of CID 123948130?
CID 123948130 has a molecular weight of 345.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123948130 is sourced from PubChem (CID 123948130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).