[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone

C15H28N2O3 — CID 125118450

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone
SMILESCCCO[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C15H28N2O3/c1-2-10-19-12-4-3-8-17(9-7-12)15(18)14-6-5-13(11-16)20-14/h12-14H,2-11,16H2,1H3/t12-,13-,14+/m1/s1
InChIKeyXLODXKCOCUXVRW-MCIONIFRSA-N
MW284.40 g/mol
LogP1.30
Rot. Bonds5

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone (PubChem CID 125118450) 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]-[(4R)-4-propoxyazepan-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone
PubChem CID125118450
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone
SMILESCCCO[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C15H28N2O3/c1-2-10-19-12-4-3-8-17(9-7-12)15(18)14-6-5-13(11-16)20-14/h12-14H,2-11,16H2,1H3/t12-,13-,14+/m1/s1
InChIKeyXLODXKCOCUXVRW-MCIONIFRSA-N
XLogP1.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102957664
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone
CID 120793668
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[(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-ethylpiperidin-1-yl)methanone
CID 120788294
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120792330
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485
[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
4-(4-propoxyazepane-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120673560
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 120792916
2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119184663
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone (CID 125118450) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone is CCCO[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN)O2)CC1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone?
The InChIKey is XLODXKCOCUXVRW-MCIONIFRSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-10-19-12-4-3-8-17(9-7-12)15(18)14-6-5-13(11-16)20-14/h12-14H,2-11,16H2,1H3/t12-,13-,14+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone has a molecular weight of 284.40 g/mol, XLogP of 1.30, 5 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]-[(4R)-4-propoxyazepan-1-yl]methanone is sourced from PubChem (CID 125118450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).