tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate

C14H23N3O2 — CID 174448604

IUPACtert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate
SMILESCC(C)(C)OC(=O)CCCC(N)Nc1ccccn1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)9-6-7-11(15)17-12-8-4-5-10-16-12/h4-5,8,10-11H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyIPPUHWWHEZFXOI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.29
Rot. Bonds6

About tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate

tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate (PubChem CID 174448604) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate.

Molecular Properties

Compound Nametert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate
PubChem CID174448604
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate
SMILESCC(C)(C)OC(=O)CCCC(N)Nc1ccccn1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)9-6-7-11(15)17-12-8-4-5-10-16-12/h4-5,8,10-11H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyIPPUHWWHEZFXOI-UHFFFAOYSA-N
XLogP2.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
CID 132549421
1-N'-pyridin-2-ylbutane-1,1-diamine
CID 22118535
tert-butyl 5-[(E)-3-pyridin-2-ylprop-2-enoyl]oxypentanoate
CID 163938579
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
diethyl 2-(pyridin-2-ylamino)butanedioate
CID 177223404
2-amino-7-[(2-methylpropan-2-yl)oxy]-7-oxo-3-phenylmethoxycarbonylheptanoic acid
CID 174442636
tert-butyl 3-(pyrimidin-2-ylamino)propanoate
CID 141113338
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate
CID 14833129
1-O-benzyl 7-O-tert-butyl 2-aminoheptanedioate
CID 71052788
tert-butyl 4-amino-5-(benzylamino)-5-oxopentanoate
CID 67334815
ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate
CID 69002748
1-O-benzyl 6-O-tert-butyl 2-(phenylmethoxycarbonylamino)hexanedioate
CID 15567307

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate?
The IUPAC name of tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate (CID 174448604) is tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate.
What is the SMILES notation for tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate?
The canonical SMILES for tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate is CC(C)(C)OC(=O)CCCC(N)Nc1ccccn1.
What is the InChIKey of tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate?
The InChIKey is IPPUHWWHEZFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)9-6-7-11(15)17-12-8-4-5-10-16-12/h4-5,8,10-11H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate?
tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate has a molecular weight of 265.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate is sourced from PubChem (CID 174448604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).