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

C13H21NO3 — CID 43726163

IUPACmethyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)CCc1ccco1
InChIInChI=1S/C13H21NO3/c1-10(7-8-11-6-5-9-17-11)14-13(2,3)12(15)16-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyBMHRFTQOJPONND-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.14
Rot. Bonds6

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

methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate (PubChem CID 43726163) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate
PubChem CID43726163
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)CCc1ccco1
InChIInChI=1S/C13H21NO3/c1-10(7-8-11-6-5-9-17-11)14-13(2,3)12(15)16-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyBMHRFTQOJPONND-UHFFFAOYSA-N
XLogP2.14
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
tert-butyl N-[4-(furan-2-yl)butan-2-ylamino]carbamate
CID 107237322
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
CID 106707217
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927814
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
4-(furan-2-yl)-N-(2-methoxyethoxy)butan-2-amine
CID 82714632
2-[4-(furan-2-yl)butan-2-ylamino]oxyacetamide
CID 112673041

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate (CID 43726163) is methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(C)CCc1ccco1.
What is the InChIKey of methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate?
The InChIKey is BMHRFTQOJPONND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(7-8-11-6-5-9-17-11)14-13(2,3)12(15)16-4/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate?
methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate has a molecular weight of 239.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate is sourced from PubChem (CID 43726163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).