tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate

C19H30N4O3 — CID 118253011

IUPACtert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
SMILESCC(C)Oc1nc(N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1N
InChIInChI=1S/C19H30N4O3/c1-12(2)25-17-14(20)6-7-16(21-17)22-10-13-8-9-23(15(13)11-22)18(24)26-19(3,4)5/h6-7,12-13,15H,8-11,20H2,1-5H3/t13-,15+/m0/s1
InChIKeyMJOJBPZNTYIDJI-DZGCQCFKSA-N
MW362.47 g/mol
LogP2.90
Rot. Bonds3

About tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate

tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate (PubChem CID 118253011) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
PubChem CID118253011
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nametert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
SMILESCC(C)Oc1nc(N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1N
InChIInChI=1S/C19H30N4O3/c1-12(2)25-17-14(20)6-7-16(21-17)22-10-13-8-9-23(15(13)11-22)18(24)26-19(3,4)5/h6-7,12-13,15H,8-11,20H2,1-5H3/t13-,15+/m0/s1
InChIKeyMJOJBPZNTYIDJI-DZGCQCFKSA-N
XLogP2.90
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[5-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-(2,2,2-trifluoroethoxy)pyridin-3-yl]carbamate
CID 118861307
N-[2-[[5-amino-6-(2,2,2-trifluoroethoxy)pyridin-2-yl]-methylamino]ethyl]-N-methylacetamide
CID 141419207
tert-butyl N-[5-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 155465201
Tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate
CID 178595730
5-butoxy-3-[2-(diethylamino)ethyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 20294740
1-(5-Amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-ol
CID 22598676
N-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 22598689
6-(3-Aminopyrrolidin-1-yl)-2-ethoxypyridin-3-amine
CID 22598693
N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 22598727
N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 22598773
[1-(5-Amino-6-ethoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 22598779
2-Ethoxy-6-(pyrrolidin-1-yl)pyridin-3-amine
CID 22598810

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate (CID 118253011) is tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate is CC(C)Oc1nc(N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1N.
What is the InChIKey of tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate?
The InChIKey is MJOJBPZNTYIDJI-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-12(2)25-17-14(20)6-7-16(21-17)22-10-13-8-9-23(15(13)11-22)18(24)26-19(3,4)5/h6-7,12-13,15H,8-11,20H2,1-5H3/t13-,15+/m0/s1.
What are the key properties of tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate?
tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3aS,6aS)-5-(5-amino-6-propan-2-yloxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate is sourced from PubChem (CID 118253011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).