CID 165117112

C7H16BNO2 — CID 165117112

IUPAC—
SMILES[B]CCNC(=O)OC(C)(C)C.[H][H]
InChIInChI=1S/C7H14BNO2.H2/c1-7(2,3)11-6(10)9-5-4-8;/h4-5H2,1-3H3,(H,9,10);1H
InChIKeyKQWJBCYOYANDII-UHFFFAOYSA-N
MW157.02 g/mol
LogP1.34
Rot. Bonds2

About CID 165117112

CID 165117112 (PubChem CID 165117112) has the molecular formula C7H16BNO2 and a molecular weight of 157.02 g/mol.

Molecular Properties

Compound NameCID 165117112
PubChem CID165117112
Molecular FormulaC7H16BNO2
Molecular Weight157.02 g/mol
Exact Mass157.13
IUPAC Name—
SMILES[B]CCNC(=O)OC(C)(C)C.[H][H]
InChIInChI=1S/C7H14BNO2.H2/c1-7(2,3)11-6(10)9-5-4-8;/h4-5H2,1-3H3,(H,9,10);1H
InChIKeyKQWJBCYOYANDII-UHFFFAOYSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.02
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-(2-bromoethyl)carbamate;methane
CID 158621054
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-(acetamidomethyl)carbamate
CID 5325897
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanesulfonic acid;hydrochloride
CID 165179141
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853

Frequently Asked Questions

What is the IUPAC name of CID 165117112?
The IUPAC name of CID 165117112 (CID 165117112) is not available.
What is the SMILES notation for CID 165117112?
The canonical SMILES for CID 165117112 is [B]CCNC(=O)OC(C)(C)C.[H][H].
What is the InChIKey of CID 165117112?
The InChIKey is KQWJBCYOYANDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BNO2.H2/c1-7(2,3)11-6(10)9-5-4-8;/h4-5H2,1-3H3,(H,9,10);1H.
What are the key properties of CID 165117112?
CID 165117112 has a molecular weight of 157.02 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165117112 is sourced from PubChem (CID 165117112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).