CID 89270420

C14H24BNO4 — CID 89270420

IUPAC—
SMILES[B]CCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C14H24BNO4/c1-14(2,3)20-13(18)16-11(8-9-15)12(17)19-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,16,18)
InChIKeyAHMUVEQFOKVMQW-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.34
Rot. Bonds5

About CID 89270420

CID 89270420 (PubChem CID 89270420) has the molecular formula C14H24BNO4 and a molecular weight of 281.16 g/mol.

Molecular Properties

Compound NameCID 89270420
PubChem CID89270420
Molecular FormulaC14H24BNO4
Molecular Weight281.16 g/mol
Exact Mass281.18
IUPAC Name—
SMILES[B]CCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C14H24BNO4/c1-14(2,3)20-13(18)16-11(8-9-15)12(17)19-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,16,18)
InChIKeyAHMUVEQFOKVMQW-UHFFFAOYSA-N
XLogP2.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopentyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 68967684
cyclopentyl 3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138108432
cyclopentyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 68700756
cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 159673903
1-O-cyclopentyl 5-O-[(4-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 57128737
cyclopentyl (2S)-2-amino-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrochloride
CID 159324937
tert-butyl 4-[(2S)-3-cyclopentyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
CID 122538743
tert-butyl 4-[3-cyclopentyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
CID 122538742
N-cyclohexylcyclohexanamine;(2R)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 122173545
5-O-cyclohexyl 1-O-[(4-methylphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 51340780
methyl 3-(cyclopentylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171680870
methyl 5-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 174948057

Frequently Asked Questions

What is the IUPAC name of CID 89270420?
The IUPAC name of CID 89270420 (CID 89270420) is not available.
What is the SMILES notation for CID 89270420?
The canonical SMILES for CID 89270420 is [B]CCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.
What is the InChIKey of CID 89270420?
The InChIKey is AHMUVEQFOKVMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BNO4/c1-14(2,3)20-13(18)16-11(8-9-15)12(17)19-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,16,18).
What are the key properties of CID 89270420?
CID 89270420 has a molecular weight of 281.16 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89270420 is sourced from PubChem (CID 89270420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).