ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate

C11H15NO3 — CID 10976711

IUPACethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate
SMILESCCOC(=O)C(N)C/C=C/c1ccco1
InChIInChI=1S/C11H15NO3/c1-2-14-11(13)10(12)7-3-5-9-6-4-8-15-9/h3-6,8,10H,2,7,12H2,1H3/b5-3+
InChIKeyCMMGUZJBWQQRPC-HWKANZROSA-N
MW209.24 g/mol
LogP1.57
Rot. Bonds5

About ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate

ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate (PubChem CID 10976711) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate
PubChem CID10976711
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate
SMILESCCOC(=O)C(N)C/C=C/c1ccco1
InChIInChI=1S/C11H15NO3/c1-2-14-11(13)10(12)7-3-5-9-6-4-8-15-9/h3-6,8,10H,2,7,12H2,1H3/b5-3+
InChIKeyCMMGUZJBWQQRPC-HWKANZROSA-N
XLogP1.57
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
methyl (E,2S)-5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 71501506
tert-butyl (E)-4-(furan-2-yl)but-3-enoate
CID 102382884
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate
CID 164665963
2-(2-ethoxyethenyl)furan
CID 173252893
(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
CID 165357082
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid
CID 55255644
ethyl (E,5S)-5-amino-5-(furan-2-yl)pent-2-enoate;hydrochloride
CID 56849943
2-tridec-1-enylfuran
CID 76580057
ethyl 4,4-diethoxy-2-(furan-2-ylmethylidene)-3-oxobutanoate
CID 70073300

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate?
The IUPAC name of ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate (CID 10976711) is ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate.
What is the SMILES notation for ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate?
The canonical SMILES for ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate is CCOC(=O)C(N)C/C=C/c1ccco1.
What is the InChIKey of ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate?
The InChIKey is CMMGUZJBWQQRPC-HWKANZROSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-14-11(13)10(12)7-3-5-9-6-4-8-15-9/h3-6,8,10H,2,7,12H2,1H3/b5-3+.
What are the key properties of ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate?
ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate has a molecular weight of 209.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate is sourced from PubChem (CID 10976711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).