[(2R)-2,5-diaminopentanoyl] hexanoate

C11H22N2O3 — CID 57208303

IUPAC[(2R)-2,5-diaminopentanoyl] hexanoate
SMILESCCCCCC(=O)OC(=O)[C@H](N)CCCN
InChIInChI=1S/C11H22N2O3/c1-2-3-4-7-10(14)16-11(15)9(13)6-5-8-12/h9H,2-8,12-13H2,1H3/t9-/m1/s1
InChIKeyPXSCMDIWXOJNLU-SECBINFHSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds8

About [(2R)-2,5-diaminopentanoyl] hexanoate

[(2R)-2,5-diaminopentanoyl] hexanoate (PubChem CID 57208303) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(2R)-2,5-diaminopentanoyl] hexanoate.

Molecular Properties

Compound Name[(2R)-2,5-diaminopentanoyl] hexanoate
PubChem CID57208303
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name[(2R)-2,5-diaminopentanoyl] hexanoate
SMILESCCCCCC(=O)OC(=O)[C@H](N)CCCN
InChIInChI=1S/C11H22N2O3/c1-2-3-4-7-10(14)16-11(15)9(13)6-5-8-12/h9H,2-8,12-13H2,1H3/t9-/m1/s1
InChIKeyPXSCMDIWXOJNLU-SECBINFHSA-N
XLogP0.70
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-aminobutanoyl (2R)-2,5-diaminopentanoate
CID 174727380
dioctadecanoyl (2S)-2-aminopentanedioate
CID 57221683
1-O-(2-aminoacetyl) 5-O-dodecanoyl (2S)-2-aminopentanedioate
CID 174825686
tetrasodium;ditetradecanoyl (2S)-2-aminopentanedioate;hydride
CID 175312951
4-amino-5-oxo-5-tetracosanoyloxypentanoic acid
CID 170430901
(4S)-4-amino-5-octanoyloxy-5-oxopentanoic acid
CID 87093144
dipotassium bis((4S)-4-amino-5-hexanoyloxy-5-oxopentanoate)
CID 142746686
[(2S)-2-amino-4-methylsulfanylbutanoyl] tetradecanoate
CID 144607636
potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate
CID 90103272
sodium (4S)-4-amino-5-octadecanoyloxy-5-oxopentanoate
CID 53472006
disodium bis((4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate)
CID 140516830
magnesium bis(4-amino-5-hexadecanoyloxy-5-oxopentanoate)
CID 76519147

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,5-diaminopentanoyl] hexanoate?
The IUPAC name of [(2R)-2,5-diaminopentanoyl] hexanoate (CID 57208303) is [(2R)-2,5-diaminopentanoyl] hexanoate.
What is the SMILES notation for [(2R)-2,5-diaminopentanoyl] hexanoate?
The canonical SMILES for [(2R)-2,5-diaminopentanoyl] hexanoate is CCCCCC(=O)OC(=O)[C@H](N)CCCN.
What is the InChIKey of [(2R)-2,5-diaminopentanoyl] hexanoate?
The InChIKey is PXSCMDIWXOJNLU-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-4-7-10(14)16-11(15)9(13)6-5-8-12/h9H,2-8,12-13H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-2,5-diaminopentanoyl] hexanoate?
[(2R)-2,5-diaminopentanoyl] hexanoate has a molecular weight of 230.31 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,5-diaminopentanoyl] hexanoate is sourced from PubChem (CID 57208303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).