(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate

C9H20N2O3 — CID 174893952

IUPAC(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate
SMILESCC(C)(C)OC=O.N[C@@H]1CNC[C@H]1O
InChIInChI=1S/C5H10O2.C4H10N2O/c1-5(2,3)7-4-6;5-3-1-6-2-4(3)7/h4H,1-3H3;3-4,6-7H,1-2,5H2/t;3-,4-/m.1/s1
InChIKeyVXJXUTFOVYOLJI-WKUSAUFCSA-N
MW204.27 g/mol
LogP-0.76
Rot. Bonds1

About (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate

(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate (PubChem CID 174893952) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate.

Molecular Properties

Compound Name(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate
PubChem CID174893952
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate
SMILESCC(C)(C)OC=O.N[C@@H]1CNC[C@H]1O
InChIInChI=1S/C5H10O2.C4H10N2O/c1-5(2,3)7-4-6;5-3-1-6-2-4(3)7/h4H,1-3H3;3-4,6-7H,1-2,5H2/t;3-,4-/m.1/s1
InChIKeyVXJXUTFOVYOLJI-WKUSAUFCSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920
tert-butyl formate;[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 174718182
tert-butyl formate;piperazine
CID 159581918
N-(azetidin-3-yl)acetamide;tert-butyl formate
CID 174943271
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
tert-butyl formate;carbamic acid;piperazine
CID 174978332
acetic acid;tert-butyl formate;3-ethylpiperidin-4-amine
CID 159777318
bis(tert-butyl formate);pyrrolidine-3-carboxamide
CID 175304917
(6S,7S)-7-amino-1,4-diazocan-6-ol
CID 59071597
(3S,4R)-1-amino-4-methylpyrrolidin-3-ol;tert-butyl formate
CID 160939790
tert-butyl formate;3-(difluoromethoxy)azetidine
CID 174766143
azetidin-3-yl-(4-chlorophenyl)methanone;tert-butyl formate
CID 162194799

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate?
The IUPAC name of (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate (CID 174893952) is (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate.
What is the SMILES notation for (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate?
The canonical SMILES for (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate is CC(C)(C)OC=O.N[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate?
The InChIKey is VXJXUTFOVYOLJI-WKUSAUFCSA-N. The full InChI is InChI=1S/C5H10O2.C4H10N2O/c1-5(2,3)7-4-6;5-3-1-6-2-4(3)7/h4H,1-3H3;3-4,6-7H,1-2,5H2/t;3-,4-/m.1/s1.
What are the key properties of (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate?
(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate has a molecular weight of 204.27 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate is sourced from PubChem (CID 174893952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).