5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid

C14H18N2O5 — CID 83101848

IUPAC5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O5/c17-13(15-10-1-2-10)12-8-20-4-3-16(12)6-11-5-9(7-21-11)14(18)19/h5,7,10,12H,1-4,6,8H2,(H,15,17)(H,18,19)
InChIKeyNSVFQJILCSEAKV-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.46
Rot. Bonds5

About 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid

5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid (PubChem CID 83101848) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
PubChem CID83101848
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CN2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O5/c17-13(15-10-1-2-10)12-8-20-4-3-16(12)6-11-5-9(7-21-11)14(18)19/h5,7,10,12H,1-4,6,8H2,(H,15,17)(H,18,19)
InChIKeyNSVFQJILCSEAKV-UHFFFAOYSA-N
XLogP0.46
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-2-carboxylic acid
CID 83102524
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103715
N-cyclopropyl-4-(2-oxoethyl)morpholine-3-carboxamide
CID 83103250
4-(2-azidoethyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83103569
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103828
ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
CID 83103871
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
5-[(3,3-dimethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 62269405
5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 55054227
4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
CID 11660454
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
CID 106890693

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid (CID 83101848) is 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid is O=C(O)c1coc(CN2CCOCC2C(=O)NC2CC2)c1.
What is the InChIKey of 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
The InChIKey is NSVFQJILCSEAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-13(15-10-1-2-10)12-8-20-4-3-16(12)6-11-5-9(7-21-11)14(18)19/h5,7,10,12H,1-4,6,8H2,(H,15,17)(H,18,19).
What are the key properties of 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid?
5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 83101848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).