methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate

C12H17NO3 — CID 43776577

IUPACmethyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)C1CC1
InChIInChI=1S/C12H17NO3/c1-8(9-3-4-9)13-7-10-5-6-16-11(10)12(14)15-2/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyIMPBBNUSOMMSJI-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.95
Rot. Bonds5

About methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate

methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate (PubChem CID 43776577) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
PubChem CID43776577
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)C1CC1
InChIInChI=1S/C12H17NO3/c1-8(9-3-4-9)13-7-10-5-6-16-11(10)12(14)15-2/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyIMPBBNUSOMMSJI-UHFFFAOYSA-N
XLogP1.95
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]furan-2-carboxylate
CID 103923910
methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
CID 81402967
methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
CID 61476816
methyl 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]furan-2-carboxylate
CID 113472103
methyl 3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367682
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylate
CID 43234822
methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 113352553
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate
CID 103922966

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate (CID 43776577) is methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate is COC(=O)c1occc1CNC(C)C1CC1.
What is the InChIKey of methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate?
The InChIKey is IMPBBNUSOMMSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(9-3-4-9)13-7-10-5-6-16-11(10)12(14)15-2/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate?
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43776577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).