2-(1,2-diaminocyclohexyl)butanedioic acid;platinum

C10H18N2O4Pt — CID 174369189

IUPAC2-(1,2-diaminocyclohexyl)butanedioic acid;platinum
SMILESNC1CCCCC1(N)C(CC(=O)O)C(=O)O.[Pt]
InChIInChI=1S/C10H18N2O4.Pt/c11-7-3-1-2-4-10(7,12)6(9(15)16)5-8(13)14;/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16);
InChIKeyWCPHXDCGMRYNRI-UHFFFAOYSA-N
MW425.34 g/mol
LogP-0.24
Rot. Bonds4

About 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum

2-(1,2-diaminocyclohexyl)butanedioic acid;platinum (PubChem CID 174369189) has the molecular formula C10H18N2O4Pt and a molecular weight of 425.34 g/mol. Its IUPAC name is 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum.

Molecular Properties

Compound Name2-(1,2-diaminocyclohexyl)butanedioic acid;platinum
PubChem CID174369189
Molecular FormulaC10H18N2O4Pt
Molecular Weight425.34 g/mol
Exact Mass425.09
IUPAC Name2-(1,2-diaminocyclohexyl)butanedioic acid;platinum
SMILESNC1CCCCC1(N)C(CC(=O)O)C(=O)O.[Pt]
InChIInChI=1S/C10H18N2O4.Pt/c11-7-3-1-2-4-10(7,12)6(9(15)16)5-8(13)14;/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16);
InChIKeyWCPHXDCGMRYNRI-UHFFFAOYSA-N
XLogP-0.24
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-diaminocyclohexyl)hexanedioic acid
CID 141005769
2-[[2-[bis(carboxymethyl)amino]-2-[(1S,2R)-1,2-diaminocyclohexyl]ethyl]-(carboxymethyl)amino]acetic acid
CID 66688883
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
2-[2-(1,2-dicarboxyethyl)pyrrolidin-2-yl]butanedioic acid
CID 174946865
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
CID 67285208
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid
CID 82768685
2-[2-(1,2-diaminocyclohexyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid
CID 77334019
3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
CID 155669879
1-amino-2-propylcyclohexane-1-carboxylic acid
CID 121281708
2-amino-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]cyclopentane-1-carboxylic acid
CID 57039499
trans-(1S,2R)-2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314910
2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314913

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum?
The IUPAC name of 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum (CID 174369189) is 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum.
What is the SMILES notation for 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum?
The canonical SMILES for 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum is NC1CCCCC1(N)C(CC(=O)O)C(=O)O.[Pt].
What is the InChIKey of 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum?
The InChIKey is WCPHXDCGMRYNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4.Pt/c11-7-3-1-2-4-10(7,12)6(9(15)16)5-8(13)14;/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16);.
What are the key properties of 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum?
2-(1,2-diaminocyclohexyl)butanedioic acid;platinum has a molecular weight of 425.34 g/mol, XLogP of -0.24, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diaminocyclohexyl)butanedioic acid;platinum is sourced from PubChem (CID 174369189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).