methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate

C13H19NO3 — CID 115905012

IUPACmethyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC(C)C2CC2)o1
InChIInChI=1S/C13H19NO3/c1-9(10-3-4-10)7-14-8-11-5-6-12(17-11)13(15)16-2/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyCAFYHNCRQUGDPM-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.20
Rot. Bonds6

About methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate

methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate (PubChem CID 115905012) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
PubChem CID115905012
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC(C)C2CC2)o1
InChIInChI=1S/C13H19NO3/c1-9(10-3-4-10)7-14-8-11-5-6-12(17-11)13(15)16-2/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyCAFYHNCRQUGDPM-UHFFFAOYSA-N
XLogP2.20
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
Ethyl 5-{[({2-[(2,2,2-trifluoroethoxy)carbonyl]cyclohexyl}carbonyl)amino]methyl}-2-furoate
CID 3241365
C18H24ClNO6
CID 2947006
Methyl 5-[(diallylamino)methyl]-2-furoate
CID 744605
5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester
CID 2901182
5-[(Diethylamino)methyl]-2-furoic acid
CID 806439
N-isobutyl-5-[(2-methoxyphenoxy)methyl]-2-furamide
CID 717010
Furan-2-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-2-methyl-propyl ester
CID 651361
N-(4-methylcyclohexyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24979677
Methyl 5-((sec-butylamino)methyl)furan-2-carboxylate
CID 587501
N-(tert-butyl)-5-[(2,2,2-trifluoroethoxy)methyl]-2-furamide
CID 891927

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate (CID 115905012) is methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCC(C)C2CC2)o1.
What is the InChIKey of methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate?
The InChIKey is CAFYHNCRQUGDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(10-3-4-10)7-14-8-11-5-6-12(17-11)13(15)16-2/h5-6,9-10,14H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate?
methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 115905012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).