CID 153350102

C9H17N2O2Sn — CID 153350102

IUPAC—
SMILESCC(=O)N[C@@H](CCCCN[Sn])C(C)=O
InChIInChI=1S/C9H17N2O2.Sn/c1-7(12)9(11-8(2)13)5-3-4-6-10;/h9-10H,3-6H2,1-2H3,(H,11,13);/q-1;+1/t9-;/m0./s1
InChIKeyVLGLBOHCFAHKCI-FVGYRXGTSA-N
MW303.96 g/mol
LogP-0.08
Rot. Bonds7

About CID 153350102

CID 153350102 (PubChem CID 153350102) has the molecular formula C9H17N2O2Sn and a molecular weight of 303.96 g/mol.

Molecular Properties

Compound NameCID 153350102
PubChem CID153350102
Molecular FormulaC9H17N2O2Sn
Molecular Weight303.96 g/mol
Exact Mass305.03
IUPAC Name—
SMILESCC(=O)N[C@@H](CCCCN[Sn])C(C)=O
InChIInChI=1S/C9H17N2O2.Sn/c1-7(12)9(11-8(2)13)5-3-4-6-10;/h9-10H,3-6H2,1-2H3,(H,11,13);/q-1;+1/t9-;/m0./s1
InChIKeyVLGLBOHCFAHKCI-FVGYRXGTSA-N
XLogP-0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.96
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-(5-acetamido-6-amino-6-oxohexyl)carbamate
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2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of CID 153350102?
The IUPAC name of CID 153350102 (CID 153350102) is not available.
What is the SMILES notation for CID 153350102?
The canonical SMILES for CID 153350102 is CC(=O)N[C@@H](CCCCN[Sn])C(C)=O.
What is the InChIKey of CID 153350102?
The InChIKey is VLGLBOHCFAHKCI-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H17N2O2.Sn/c1-7(12)9(11-8(2)13)5-3-4-6-10;/h9-10H,3-6H2,1-2H3,(H,11,13);/q-1;+1/t9-;/m0./s1.
What are the key properties of CID 153350102?
CID 153350102 has a molecular weight of 303.96 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153350102 is sourced from PubChem (CID 153350102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).