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

C13H26N2O3 — CID 120787980

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCOCCN(CC(C)C)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C13H26N2O3/c1-10(2)9-15(6-7-17-3)13(16)12-5-4-11(8-14)18-12/h10-12H,4-9,14H2,1-3H3/t11-,12+/m1/s1
InChIKeyTURMCQRTBNPDTO-NEPJUHHUSA-N
MW258.36 g/mol
LogP0.62
Rot. Bonds7

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

(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide (PubChem CID 120787980) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
PubChem CID120787980
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCOCCN(CC(C)C)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C13H26N2O3/c1-10(2)9-15(6-7-17-3)13(16)12-5-4-11(8-14)18-12/h10-12H,4-9,14H2,1-3H3/t11-,12+/m1/s1
InChIKeyTURMCQRTBNPDTO-NEPJUHHUSA-N
XLogP0.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688123
(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 120783698
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
5-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 55117060
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688222
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 82951624
5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688956
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 79389330
(2S,5R)-5-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 120789898

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide (CID 120787980) is (2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide is COCCN(CC(C)C)C(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide?
The InChIKey is TURMCQRTBNPDTO-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)9-15(6-7-17-3)13(16)12-5-4-11(8-14)18-12/h10-12H,4-9,14H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 120787980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).