(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide

C8H16N2O2 — CID 97050721

IUPAC(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H](CN)O1
InChIInChI=1S/C8H16N2O2/c1-10(2)8(11)7-4-3-6(5-9)12-7/h6-7H,3-5,9H2,1-2H3/t6-,7-/m1/s1
InChIKeyBKFIAAKZWQTGHE-RNFRBKRXSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds2

About (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide

(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide (PubChem CID 97050721) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
PubChem CID97050721
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H](CN)O1
InChIInChI=1S/C8H16N2O2/c1-10(2)8(11)7-4-3-6(5-9)12-7/h6-7H,3-5,9H2,1-2H3/t6-,7-/m1/s1
InChIKeyBKFIAAKZWQTGHE-RNFRBKRXSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
CID 120784974
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide
CID 112658871
(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120792261
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120784111
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride
CID 120791383
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)oxolane-2-carboxamide
CID 120797670
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide
CID 120787918
5-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide;hydrochloride
CID 120874053
5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
CID 120874052
(2S,5R)-5-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 120789898

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide?
The IUPAC name of (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide (CID 97050721) is (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide is CN(C)C(=O)[C@H]1CC[C@H](CN)O1.
What is the InChIKey of (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide?
The InChIKey is BKFIAAKZWQTGHE-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)8(11)7-4-3-6(5-9)12-7/h6-7H,3-5,9H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide?
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 97050721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).