4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide

C14H23N3O4 — CID 83099301

IUPAC4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESNCC1CCC(C(=O)N2CCOCC2C(=O)NC2CC2)O1
InChIInChI=1S/C14H23N3O4/c15-7-10-3-4-12(21-10)14(19)17-5-6-20-8-11(17)13(18)16-9-1-2-9/h9-12H,1-8,15H2,(H,16,18)
InChIKeyNCXMGUFHNBDGBS-UHFFFAOYSA-N
MW297.36 g/mol
LogP-1.00
Rot. Bonds4

About 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide

4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83099301) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83099301
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESNCC1CCC(C(=O)N2CCOCC2C(=O)NC2CC2)O1
InChIInChI=1S/C14H23N3O4/c15-7-10-3-4-12(21-10)14(19)17-5-6-20-8-11(17)13(18)16-9-1-2-9/h9-12H,1-8,15H2,(H,16,18)
InChIKeyNCXMGUFHNBDGBS-UHFFFAOYSA-N
XLogP-1.00
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120788095
4-[2-[(2-aminoacetyl)amino]acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83097064
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
4-(1-aminocyclopentanecarbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098030
4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106386
4-(4-aminopentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096865
4-[(2R)-2-amino-4-methylpentanoyl]-N-cyclopropylmorpholine-3-carboxamide
CID 104903912
4-[2-(tert-butylamino)acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098876

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide (CID 83099301) is 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide is NCC1CCC(C(=O)N2CCOCC2C(=O)NC2CC2)O1.
What is the InChIKey of 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is NCXMGUFHNBDGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c15-7-10-3-4-12(21-10)14(19)17-5-6-20-8-11(17)13(18)16-9-1-2-9/h9-12H,1-8,15H2,(H,16,18).
What are the key properties of 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide?
4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83099301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).