CID 162684972

C13H23NO4Si — CID 162684972

IUPAC—
SMILESCC(C)(C)OC(=O)C1CCCCN1CC[Si]C(=O)O
InChIInChI=1S/C13H23NO4Si/c1-13(2,3)18-11(15)10-6-4-5-7-14(10)8-9-19-12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyAOPJNSMTRHVEIF-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.98
Rot. Bonds5

About CID 162684972

CID 162684972 (PubChem CID 162684972) has the molecular formula C13H23NO4Si and a molecular weight of 285.42 g/mol.

Molecular Properties

Compound NameCID 162684972
PubChem CID162684972
Molecular FormulaC13H23NO4Si
Molecular Weight285.42 g/mol
Exact Mass285.14
IUPAC Name—
SMILESCC(C)(C)OC(=O)C1CCCCN1CC[Si]C(=O)O
InChIInChI=1S/C13H23NO4Si/c1-13(2,3)18-11(15)10-6-4-5-7-14(10)8-9-19-12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyAOPJNSMTRHVEIF-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.98
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

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2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
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CID 67010126
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CID 81001922
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67010128
tert-butyl (2R)-1-(3-methoxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 102977800
tert-butyl (2R)-1-(2-cyanoethyl)pyrrolidine-2-carboxylate
CID 80709651
tert-butyl (2S)-1-but-3-enylpyrrolidine-2-carboxylate
CID 81002810
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631

Frequently Asked Questions

What is the IUPAC name of CID 162684972?
The IUPAC name of CID 162684972 (CID 162684972) is not available.
What is the SMILES notation for CID 162684972?
The canonical SMILES for CID 162684972 is CC(C)(C)OC(=O)C1CCCCN1CC[Si]C(=O)O.
What is the InChIKey of CID 162684972?
The InChIKey is AOPJNSMTRHVEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4Si/c1-13(2,3)18-11(15)10-6-4-5-7-14(10)8-9-19-12(16)17/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of CID 162684972?
CID 162684972 has a molecular weight of 285.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162684972 is sourced from PubChem (CID 162684972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).