tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate

C16H22N4O2 — CID 76847540

IUPACtert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)C(c2nccc3[nH]ccc23)C1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-11(12(17)9-20)14-10-4-6-18-13(10)5-7-19-14/h4-7,11-12,18H,8-9,17H2,1-3H3
InChIKeyVCNPCIVVKYWICT-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.22
Rot. Bonds1

About tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate

tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate (PubChem CID 76847540) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate
PubChem CID76847540
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)C(c2nccc3[nH]ccc23)C1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-11(12(17)9-20)14-10-4-6-18-13(10)5-7-19-14/h4-7,11-12,18H,8-9,17H2,1-3H3
InChIKeyVCNPCIVVKYWICT-UHFFFAOYSA-N
XLogP2.22
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-amino-4-(2-fluorophenyl)pyrrolidine-1-carboxylate
CID 67135442
tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
CID 97357623
tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate
CID 76520777
tert-butyl (3S,4R)-3-isocyano-4-(2-oxo-1H-pyridin-4-yl)pyrrolidine-1-carboxylate
CID 176805973
tert-butyl 3-(1H-imidazol-2-ylmethyl)azetidine-1-carboxylate
CID 175251955
tert-butyl 3-(1H-indol-4-yl)pyrrolidine-1-carboxylate
CID 169498151
tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 146402292
tert-butyl (3S)-3-amino-4-(4-fluoro-2-methylphenyl)pyrrolidine-1-carboxylate
CID 155346444
tert-butyl 3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)azetidine-1-carboxylate
CID 163363010
tert-butyl (3R,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate
CID 98008226
tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 58356142
tert-butyl (3S,4R)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 39872120

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate (CID 76847540) is tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N)C(c2nccc3[nH]ccc23)C1.
What is the InChIKey of tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is VCNPCIVVKYWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-11(12(17)9-20)14-10-4-6-18-13(10)5-7-19-14/h4-7,11-12,18H,8-9,17H2,1-3H3.
What are the key properties of tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 76847540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).