[(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate

C13H20N4O3 — CID 91238428

IUPAC[(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate
SMILESC[C@](N)(C(=O)OC(=O)[C@H](N)CCCN)c1ccccn1
InChIInChI=1S/C13H20N4O3/c1-13(16,10-6-2-3-8-17-10)12(19)20-11(18)9(15)5-4-7-14/h2-3,6,8-9H,4-5,7,14-16H2,1H3/t9-,13-/m1/s1
InChIKeyJAHVFWAVOOVTOA-NOZJJQNGSA-N
MW280.33 g/mol
LogP-0.61
Rot. Bonds6

About [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate

[(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate (PubChem CID 91238428) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate.

Molecular Properties

Compound Name[(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate
PubChem CID91238428
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name[(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate
SMILESC[C@](N)(C(=O)OC(=O)[C@H](N)CCCN)c1ccccn1
InChIInChI=1S/C13H20N4O3/c1-13(16,10-6-2-3-8-17-10)12(19)20-11(18)9(15)5-4-7-14/h2-3,6,8-9H,4-5,7,14-16H2,1H3/t9-,13-/m1/s1
InChIKeyJAHVFWAVOOVTOA-NOZJJQNGSA-N
XLogP-0.61
TPSA134.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-pyridin-2-ylhexane-1,4-diamine
CID 90694165
benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate
CID 91437658
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-pyridin-2-ylethyl (2S)-2,6-diaminohexanoate
CID 139942518
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172548
4-aminobutanoyl (2R)-2,5-diaminopentanoate
CID 174727380
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
tert-butyl N-(4-amino-2-pyridin-2-ylbutan-2-yl)carbamate
CID 83693743
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate?
The IUPAC name of [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate (CID 91238428) is [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate.
What is the SMILES notation for [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate?
The canonical SMILES for [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate is C[C@](N)(C(=O)OC(=O)[C@H](N)CCCN)c1ccccn1.
What is the InChIKey of [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate?
The InChIKey is JAHVFWAVOOVTOA-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(16,10-6-2-3-8-17-10)12(19)20-11(18)9(15)5-4-7-14/h2-3,6,8-9H,4-5,7,14-16H2,1H3/t9-,13-/m1/s1.
What are the key properties of [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate?
[(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate has a molecular weight of 280.33 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate is sourced from PubChem (CID 91238428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).