(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide

C13H24N2O2 — CID 120782860

IUPAC(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCC2CCCCC2)O1
InChIInChI=1S/C13H24N2O2/c14-8-11-6-7-12(17-11)13(16)15-9-10-4-2-1-3-5-10/h10-12H,1-9,14H2,(H,15,16)/t11-,12+/m1/s1
InChIKeyHUIADHAAOFNKBL-NEPJUHHUSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide (PubChem CID 120782860) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
PubChem CID120782860
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCC2CCCCC2)O1
InChIInChI=1S/C13H24N2O2/c14-8-11-6-7-12(17-11)13(16)15-9-10-4-2-1-3-5-10/h10-12H,1-9,14H2,(H,15,16)/t11-,12+/m1/s1
InChIKeyHUIADHAAOFNKBL-NEPJUHHUSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-(oxolan-2-ylmethyl)acetamide
CID 2913058
Cyclohexanecarboxamide, N-tetrahydrofurfuryl-
CID 531816
N-methyl-N-propan-2-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 118741572
N,N-diethyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 118741574
4-cyclohexyl-N-(oxolan-2-ylmethyl)butanamide
CID 2899551
N-(2-Methylcyclohexyl)oxolane-2-carboxamide
CID 42910855
N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
CID 45872778
2-Methyl-N-(3-methylcyclohexyl)oxolane-2-carboxamide
CID 71856944
5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide
CID 86779385
(2S)-N-[2-(cyclohexylmethyl)-3-hydroxypropyl]oxolane-2-carboxamide
CID 91652887
(2S)-N-(cyclohexylmethyl)-N-methyloxolane-2-carboxamide
CID 93610651
N,N-diethyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;hydrochloride
CID 118741573

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide (CID 120782860) is (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCC2CCCCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide?
The InChIKey is HUIADHAAOFNKBL-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-8-11-6-7-12(17-11)13(16)15-9-10-4-2-1-3-5-10/h10-12H,1-9,14H2,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 120782860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).