[(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid

C8H15N3O3 — CID 139451131

IUPAC[(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid
SMILESN[C@@H]1CN(C2COC2)C[C@@H]1NC(=O)O
InChIInChI=1S/C8H15N3O3/c9-6-1-11(5-3-14-4-5)2-7(6)10-8(12)13/h5-7,10H,1-4,9H2,(H,12,13)/t6-,7+/m1/s1
InChIKeyXFLBKRJUXTZRPH-RQJHMYQMSA-N
MW201.23 g/mol
LogP-1.34
Rot. Bonds2

About [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid

[(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid (PubChem CID 139451131) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid
PubChem CID139451131
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name[(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid
SMILESN[C@@H]1CN(C2COC2)C[C@@H]1NC(=O)O
InChIInChI=1S/C8H15N3O3/c9-6-1-11(5-3-14-4-5)2-7(6)10-8(12)13/h5-7,10H,1-4,9H2,(H,12,13)/t6-,7+/m1/s1
InChIKeyXFLBKRJUXTZRPH-RQJHMYQMSA-N
XLogP-1.34
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid (CID 139451131) is [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid is N[C@@H]1CN(C2COC2)C[C@@H]1NC(=O)O.
What is the InChIKey of [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is XFLBKRJUXTZRPH-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-6-1-11(5-3-14-4-5)2-7(6)10-8(12)13/h5-7,10H,1-4,9H2,(H,12,13)/t6-,7+/m1/s1.
What are the key properties of [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid?
[(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 201.23 g/mol, XLogP of -1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 139451131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).