(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid

C13H27N3O3 — CID 137348989

IUPAC(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
SMILESCN(C)C(=O)[C@H](N)CCCCCCC[C@H](N)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-16(2)12(17)10(14)8-6-4-3-5-7-9-11(15)13(18)19/h10-11H,3-9,14-15H2,1-2H3,(H,18,19)/t10-,11+/m1/s1
InChIKeyDSPAEOWBCAUTMS-MNOVXSKESA-N
MW273.38 g/mol
LogP0.54
Rot. Bonds10

About (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid

(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid (PubChem CID 137348989) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid.

Molecular Properties

Compound Name(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
PubChem CID137348989
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
SMILESCN(C)C(=O)[C@H](N)CCCCCCC[C@H](N)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-16(2)12(17)10(14)8-6-4-3-5-7-9-11(15)13(18)19/h10-11H,3-9,14-15H2,1-2H3,(H,18,19)/t10-,11+/m1/s1
InChIKeyDSPAEOWBCAUTMS-MNOVXSKESA-N
XLogP0.54
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-21-methyldocosanoic acid
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2,10,10-triaminodecanoic acid
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2-amino-6-(dimethylamino)hexanoic acid;ethane
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2-aminohexadecanoic acid;azane
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Frequently Asked Questions

What is the IUPAC name of (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid?
The IUPAC name of (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid (CID 137348989) is (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid.
What is the SMILES notation for (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid?
The canonical SMILES for (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid is CN(C)C(=O)[C@H](N)CCCCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid?
The InChIKey is DSPAEOWBCAUTMS-MNOVXSKESA-N. The full InChI is InChI=1S/C13H27N3O3/c1-16(2)12(17)10(14)8-6-4-3-5-7-9-11(15)13(18)19/h10-11H,3-9,14-15H2,1-2H3,(H,18,19)/t10-,11+/m1/s1.
What are the key properties of (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid?
(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid has a molecular weight of 273.38 g/mol, XLogP of 0.54, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid is sourced from PubChem (CID 137348989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).