CID 6369563

C12H26N2O4Sn — CID 6369563

IUPAC—
SMILESCC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.[Sn]
InChIInChI=1S/2C6H13NO2.Sn/c2*1-4(2)3-5(7)6(8)9;/h2*4-5H,3,7H2,1-2H3,(H,8,9);
InChIKeyOMDAQZVBMZUHEA-UHFFFAOYSA-N
MW381.06 g/mol
LogP0.51
Rot. Bonds6

About CID 6369563

CID 6369563 (PubChem CID 6369563) has the molecular formula C12H26N2O4Sn and a molecular weight of 381.06 g/mol.

Molecular Properties

Compound NameCID 6369563
PubChem CID6369563
Molecular FormulaC12H26N2O4Sn
Molecular Weight381.06 g/mol
Exact Mass382.09
IUPAC Name—
SMILESCC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.[Sn]
InChIInChI=1S/2C6H13NO2.Sn/c2*1-4(2)3-5(7)6(8)9;/h2*4-5H,3,7H2,1-2H3,(H,8,9);
InChIKeyOMDAQZVBMZUHEA-UHFFFAOYSA-N
XLogP0.51
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.06
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634

Frequently Asked Questions

What is the IUPAC name of CID 6369563?
The IUPAC name of CID 6369563 (CID 6369563) is not available.
What is the SMILES notation for CID 6369563?
The canonical SMILES for CID 6369563 is CC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.[Sn].
What is the InChIKey of CID 6369563?
The InChIKey is OMDAQZVBMZUHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO2.Sn/c2*1-4(2)3-5(7)6(8)9;/h2*4-5H,3,7H2,1-2H3,(H,8,9);.
What are the key properties of CID 6369563?
CID 6369563 has a molecular weight of 381.06 g/mol, XLogP of 0.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6369563 is sourced from PubChem (CID 6369563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).