(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide

C14H27N3O2 — CID 120798240

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C14H27N3O2/c1-11(10-17-7-3-2-4-8-17)16-14(18)13-6-5-12(9-15)19-13/h11-13H,2-10,15H2,1H3,(H,16,18)/t11?,12-,13+/m1/s1
InChIKeyKPYRFPUJTKHEBW-HDYSRYHKSA-N
MW269.39 g/mol
LogP0.48
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide (PubChem CID 120798240) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide
PubChem CID120798240
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C14H27N3O2/c1-11(10-17-7-3-2-4-8-17)16-14(18)13-6-5-12(9-15)19-13/h11-13H,2-10,15H2,1H3,(H,16,18)/t11?,12-,13+/m1/s1
InChIKeyKPYRFPUJTKHEBW-HDYSRYHKSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide
CID 114417274
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
(2S,3R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 104965374
(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide
CID 120795188
(2S,5R)-5-(aminomethyl)-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]oxolane-2-carboxamide
CID 120799612
(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120785367
3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62783102
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)oxolane-2-carboxamide
CID 120787356
3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782980
(2S,5R)-5-(aminomethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]oxolane-2-carboxamide
CID 120790948
(2S,5R)-5-(aminomethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120797326

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide (CID 120798240) is (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide is CC(CN1CCCCC1)NC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide?
The InChIKey is KPYRFPUJTKHEBW-HDYSRYHKSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(10-17-7-3-2-4-8-17)16-14(18)13-6-5-12(9-15)19-13/h11-13H,2-10,15H2,1H3,(H,16,18)/t11?,12-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120798240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).