[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone

C15H28N2O3 — CID 120793668

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
SMILESCC(C)CCOC1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)6-8-19-13-5-7-17(10-13)15(18)14-4-3-12(9-16)20-14/h11-14H,3-10,16H2,1-2H3/t12-,13?,14+/m1/s1
InChIKeyISRHGBDIGORAKI-YIOYIWSBSA-N
MW284.40 g/mol
LogP1.16
Rot. Bonds6

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone (PubChem CID 120793668) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
PubChem CID120793668
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
SMILESCC(C)CCOC1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)6-8-19-13-5-7-17(10-13)15(18)14-4-3-12(9-16)20-14/h11-14H,3-10,16H2,1-2H3/t12-,13?,14+/m1/s1
InChIKeyISRHGBDIGORAKI-YIOYIWSBSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone
CID 125118450
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102957664
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
N-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-2-methylpropanamide
CID 120790922
[3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119789495
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120792330
[5-(aminomethyl)oxolan-2-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220593
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 120788294
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 119789465
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone (CID 120793668) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone is CC(C)CCOC1CCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone?
The InChIKey is ISRHGBDIGORAKI-YIOYIWSBSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)6-8-19-13-5-7-17(10-13)15(18)14-4-3-12(9-16)20-14/h11-14H,3-10,16H2,1-2H3/t12-,13?,14+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone has a molecular weight of 284.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 120793668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).