CID 58140288

C9H16BN2O3 — CID 58140288

IUPAC—
SMILESNC(=O)C(O)C(CC1CCC1)N[B]C=O
InChIInChI=1S/C9H16BN2O3/c11-9(15)8(14)7(12-10-5-13)4-6-2-1-3-6/h5-8,12,14H,1-4H2,(H2,11,15)
InChIKeyFTKXICPFDWVCOT-UHFFFAOYSA-N
MW211.05 g/mol
LogP-1.21
Rot. Bonds7

About CID 58140288

CID 58140288 (PubChem CID 58140288) has the molecular formula C9H16BN2O3 and a molecular weight of 211.05 g/mol.

Molecular Properties

Compound NameCID 58140288
PubChem CID58140288
Molecular FormulaC9H16BN2O3
Molecular Weight211.05 g/mol
Exact Mass211.13
IUPAC Name—
SMILESNC(=O)C(O)C(CC1CCC1)N[B]C=O
InChIInChI=1S/C9H16BN2O3/c11-9(15)8(14)7(12-10-5-13)4-6-2-1-3-6/h5-8,12,14H,1-4H2,(H2,11,15)
InChIKeyFTKXICPFDWVCOT-UHFFFAOYSA-N
XLogP-1.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 58140292
CID 58140292
2-amino-3-cyclobutylpropanamide
CID 65458295
N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)pyrrolidine-2-carboxamide;ethane;propane
CID 165393645
4-cyclopropyl-2-hydroxy-3-methylbutanamide
CID 58846227
CID 164806427
CID 164806427
(2S,3S)-N-(4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl)-3-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174354550
4-cyclobutyl-2-hydroxy-3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanoic acid
CID 143738925
[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid
CID 91554374
1-amino-3-(chloroamino)-4-cyclobutyl-1-hydroxybutan-2-one
CID 143708489
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
CID 70425259
3-(cyclopentylmethylamino)-2-hydroxypropanamide
CID 106171619
4-cyclobutyl-2-oxo-3-(phosphanylamino)butanamide
CID 59655546

Frequently Asked Questions

What is the IUPAC name of CID 58140288?
The IUPAC name of CID 58140288 (CID 58140288) is not available.
What is the SMILES notation for CID 58140288?
The canonical SMILES for CID 58140288 is NC(=O)C(O)C(CC1CCC1)N[B]C=O.
What is the InChIKey of CID 58140288?
The InChIKey is FTKXICPFDWVCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BN2O3/c11-9(15)8(14)7(12-10-5-13)4-6-2-1-3-6/h5-8,12,14H,1-4H2,(H2,11,15).
What are the key properties of CID 58140288?
CID 58140288 has a molecular weight of 211.05 g/mol, XLogP of -1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58140288 is sourced from PubChem (CID 58140288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).