(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide

C14H24N2O2 — CID 120787918

IUPAC(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide
SMILESCC(C1CC1)N(C(=O)[C@@H]1CC[C@H](CN)O1)C1CC1
InChIInChI=1S/C14H24N2O2/c1-9(10-2-3-10)16(11-4-5-11)14(17)13-7-6-12(8-15)18-13/h9-13H,2-8,15H2,1H3/t9?,12-,13+/m1/s1
InChIKeyCEFRONWNBPCKIJ-MDGPAFOCSA-N
MW252.36 g/mol
LogP1.28
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide (PubChem CID 120787918) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide
PubChem CID120787918
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide
SMILESCC(C1CC1)N(C(=O)[C@@H]1CC[C@H](CN)O1)C1CC1
InChIInChI=1S/C14H24N2O2/c1-9(10-2-3-10)16(11-4-5-11)14(17)13-7-6-12(8-15)18-13/h9-13H,2-8,15H2,1H3/t9?,12-,13+/m1/s1
InChIKeyCEFRONWNBPCKIJ-MDGPAFOCSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786660
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)oxolane-2-carboxamide
CID 120797670
(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
CID 120784974
(1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98790841
(1R,2R,4R)-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98790840
(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 120787980
(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120792261
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
3-amino-N-cyclopropyl-N-(1-cyclopropylethyl)cyclopentane-1-carboxamide
CID 119728873

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide (CID 120787918) is (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide is CC(C1CC1)N(C(=O)[C@@H]1CC[C@H](CN)O1)C1CC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide?
The InChIKey is CEFRONWNBPCKIJ-MDGPAFOCSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(10-2-3-10)16(11-4-5-11)14(17)13-7-6-12(8-15)18-13/h9-13H,2-8,15H2,1H3/t9?,12-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 120787918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).