CID 59926489

C6H7BN2O3 — CID 59926489

IUPAC—
SMILES[B]C(=O)N[C@@H]1C[C@H](C=O)NC1=O
InChIInChI=1S/C6H7BN2O3/c7-6(12)9-4-1-3(2-10)8-5(4)11/h2-4H,1H2,(H,8,11)(H,9,12)/t3-,4-/m1/s1
InChIKeyNRWIZXGKJJXDGZ-QWWZWVQMSA-N
MW165.94 g/mol
LogP-1.68
Rot. Bonds2

About CID 59926489

CID 59926489 (PubChem CID 59926489) has the molecular formula C6H7BN2O3 and a molecular weight of 165.94 g/mol.

Molecular Properties

Compound NameCID 59926489
PubChem CID59926489
Molecular FormulaC6H7BN2O3
Molecular Weight165.94 g/mol
Exact Mass166.05
IUPAC Name—
SMILES[B]C(=O)N[C@@H]1C[C@H](C=O)NC1=O
InChIInChI=1S/C6H7BN2O3/c7-6(12)9-4-1-3(2-10)8-5(4)11/h2-4H,1H2,(H,8,11)(H,9,12)/t3-,4-/m1/s1
InChIKeyNRWIZXGKJJXDGZ-QWWZWVQMSA-N
XLogP-1.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.94
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 59926489 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

CID 59927041
CID 59927041
CID 59926900
CID 59926900
4-(oxoboranylmethylamino)-5-sulfanylidenepyrrolidine-2-carbaldehyde
CID 20649059
methyl (2S,4S)-4-acetamido-5-oxopyrrolidine-2-carboxylate
CID 45089540
(2S,4S)-5-oxo-4-(4-phenylbutanoylamino)pyrrolidine-2-carboxylic acid
CID 102273253
[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamic acid
CID 155145749
(2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid
CID 66985211
3-amino-2,2,3-trimethyl-N-(2-oxopiperidin-3-yl)butanamide
CID 65266745
4-acetyl-7-(methylamino)-1,2,5-dithiazocan-6-one
CID 59105017
N-(2-oxopiperidin-3-yl)prop-2-enamide
CID 62092726
3,3-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 58432563
2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 164653754

Frequently Asked Questions

What is the IUPAC name of CID 59926489?
The IUPAC name of CID 59926489 (CID 59926489) is not available.
What is the SMILES notation for CID 59926489?
The canonical SMILES for CID 59926489 is [B]C(=O)N[C@@H]1C[C@H](C=O)NC1=O.
What is the InChIKey of CID 59926489?
The InChIKey is NRWIZXGKJJXDGZ-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H7BN2O3/c7-6(12)9-4-1-3(2-10)8-5(4)11/h2-4H,1H2,(H,8,11)(H,9,12)/t3-,4-/m1/s1.
What are the key properties of CID 59926489?
CID 59926489 has a molecular weight of 165.94 g/mol, XLogP of -1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59926489 is sourced from PubChem (CID 59926489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).