methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate

C12H19NO3 — CID 43478962

IUPACmethyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
SMILESCOC(=O)CCNC(C)CCc1ccco1
InChIInChI=1S/C12H19NO3/c1-10(13-8-7-12(14)15-2)5-6-11-4-3-9-16-11/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyRFVRPQDHGSDIBR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.75
Rot. Bonds7

About methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate

methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate (PubChem CID 43478962) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
PubChem CID43478962
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
SMILESCOC(=O)CCNC(C)CCc1ccco1
InChIInChI=1S/C12H19NO3/c1-10(13-8-7-12(14)15-2)5-6-11-4-3-9-16-11/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyRFVRPQDHGSDIBR-UHFFFAOYSA-N
XLogP1.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
methyl 3-[1-(furan-2-yl)ethylamino]propanoate
CID 43139742
N-cyclopropyl-4-[4-(furan-2-yl)butan-2-ylamino]butanamide
CID 79394921
4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103178791
methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate
CID 70461055
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate
CID 43726163
N-ethyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide
CID 43401748
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
CID 103902199
(E)-4-[4-(furan-2-yl)butan-2-ylamino]but-2-enoic acid
CID 103246839

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate?
The IUPAC name of methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate (CID 43478962) is methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate.
What is the SMILES notation for methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate?
The canonical SMILES for methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate is COC(=O)CCNC(C)CCc1ccco1.
What is the InChIKey of methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate?
The InChIKey is RFVRPQDHGSDIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10(13-8-7-12(14)15-2)5-6-11-4-3-9-16-11/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate?
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate has a molecular weight of 225.29 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate is sourced from PubChem (CID 43478962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).