(3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine

C8H16N2O2 — CID 141386384

IUPAC(3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine
SMILESCO[C@@H]1CNC[C@@H]1NC1COC1
InChIInChI=1S/C8H16N2O2/c1-11-8-3-9-2-7(8)10-6-4-12-5-6/h6-10H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyNWEDMYJSPUAKRQ-JGVFFNPUSA-N
MW172.23 g/mol
LogP-1.04
Rot. Bonds3

About (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine

(3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine (PubChem CID 141386384) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine
PubChem CID141386384
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine
SMILESCO[C@@H]1CNC[C@@H]1NC1COC1
InChIInChI=1S/C8H16N2O2/c1-11-8-3-9-2-7(8)10-6-4-12-5-6/h6-10H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyNWEDMYJSPUAKRQ-JGVFFNPUSA-N
XLogP-1.04
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-4-methoxypyrrolidin-3-yl]oxolane-3-carboxamide
CID 61272635
N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine
CID 131181570
N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide
CID 76891612
N-(2-methoxycyclohexyl)oxolan-3-amine
CID 80717087
3-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dimethylurea
CID 79154525
4-(azetidin-3-ylamino)oxolan-3-ol
CID 126856880
(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol
CID 126846702
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
N-[(4S)-4-methoxypyrrolidin-3-yl]prop-2-ynamide
CID 43594076
1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
CID 74884463

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine (CID 141386384) is (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine is CO[C@@H]1CNC[C@@H]1NC1COC1.
What is the InChIKey of (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine?
The InChIKey is NWEDMYJSPUAKRQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-11-8-3-9-2-7(8)10-6-4-12-5-6/h6-10H,2-5H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine?
(3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine has a molecular weight of 172.23 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 141386384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).