(3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol

C9H14N2O2 — CID 126847141

IUPAC(3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NCc1ccoc1
InChIInChI=1S/C9H14N2O2/c12-9-5-10-4-8(9)11-3-7-1-2-13-6-7/h1-2,6,8-12H,3-5H2/t8-,9-/m1/s1
InChIKeyNXAGYEDZALVVHC-RKDXNWHRSA-N
MW182.22 g/mol
LogP-0.30
Rot. Bonds3

About (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol

(3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol (PubChem CID 126847141) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol
PubChem CID126847141
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NCc1ccoc1
InChIInChI=1S/C9H14N2O2/c12-9-5-10-4-8(9)11-3-7-1-2-13-6-7/h1-2,6,8-12H,3-5H2/t8-,9-/m1/s1
InChIKeyNXAGYEDZALVVHC-RKDXNWHRSA-N
XLogP-0.30
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[furan-3-ylmethyl(methyl)amino]pyrrolidin-3-ol
CID 63702901
[2-(furan-3-ylmethylamino)cycloheptyl]methanol
CID 115691389
2-(azetidin-3-yl)-N-(furan-3-ylmethyl)ethanamine
CID 116680458
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol
CID 131089932
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
2-(furan-3-ylmethylamino)-1-methylcyclopentan-1-ol
CID 130532274
2-(cyclopentylamino)-N-(furan-3-ylmethyl)acetamide
CID 115746985
N-(furan-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 63204890
N-(furan-3-ylmethyl)thian-4-amine
CID 115585258
N-(furan-3-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64722368
N-(furan-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115711462

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol (CID 126847141) is (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1NCc1ccoc1.
What is the InChIKey of (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol?
The InChIKey is NXAGYEDZALVVHC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-9-5-10-4-8(9)11-3-7-1-2-13-6-7/h1-2,6,8-12H,3-5H2/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol?
(3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol has a molecular weight of 182.22 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol is sourced from PubChem (CID 126847141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).