methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate

C11H17NO3 — CID 83029917

IUPACmethyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(Cc1ccoc1)C(C)C
InChIInChI=1S/C11H17NO3/c1-9(2)12(7-11(13)14-3)6-10-4-5-15-8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyDIAOAFQNOPUATI-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.66
Rot. Bonds5

About methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate

methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate (PubChem CID 83029917) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
PubChem CID83029917
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(Cc1ccoc1)C(C)C
InChIInChI=1S/C11H17NO3/c1-9(2)12(7-11(13)14-3)6-10-4-5-15-8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyDIAOAFQNOPUATI-UHFFFAOYSA-N
XLogP1.66
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60965401
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
CID 78918049
methyl 2-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]acetate
CID 102794690
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597
methyl 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-propan-2-ylamino]acetate
CID 62027394
(2S)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63304810
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
CID 80658262
methyl 2-[(5-nitrofuran-2-yl)methyl-propan-2-ylamino]acetate
CID 62026456
furan-3-ylmethyl N-propan-2-ylcarbamate
CID 58805073
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-propan-2-ylamino]acetate
CID 102662967
methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate
CID 62025875
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913

Frequently Asked Questions

What is the IUPAC name of methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate (CID 83029917) is methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate is COC(=O)CN(Cc1ccoc1)C(C)C.
What is the InChIKey of methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate?
The InChIKey is DIAOAFQNOPUATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9(2)12(7-11(13)14-3)6-10-4-5-15-8-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate?
methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate has a molecular weight of 211.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 83029917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).