methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate

C13H19NO3 — CID 103260102

IUPACmethyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate
SMILESCC/C(=C/CN[C@H](C)c1ccco1)C(=O)OC
InChIInChI=1S/C13H19NO3/c1-4-11(13(15)16-3)7-8-14-10(2)12-6-5-9-17-12/h5-7,9-10,14H,4,8H2,1-3H3/b11-7-/t10-/m1/s1
InChIKeySMJNWCKVYDNQKI-PAKSIRSJSA-N
MW237.30 g/mol
LogP2.44
Rot. Bonds6

About methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate

methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate (PubChem CID 103260102) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate
PubChem CID103260102
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate
SMILESCC/C(=C/CN[C@H](C)c1ccco1)C(=O)OC
InChIInChI=1S/C13H19NO3/c1-4-11(13(15)16-3)7-8-14-10(2)12-6-5-9-17-12/h5-7,9-10,14H,4,8H2,1-3H3/b11-7-/t10-/m1/s1
InChIKeySMJNWCKVYDNQKI-PAKSIRSJSA-N
XLogP2.44
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate with MolForge

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Related Compounds

(Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoic acid
CID 103260109
methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate
CID 103245792
methyl (Z)-2-ethyl-4-(1-thiophen-2-ylpropan-2-ylamino)but-2-enoate
CID 103251832
(E)-4-[1-(furan-2-yl)ethylamino]but-2-enoic acid
CID 103238492
methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate
CID 103238289
methyl 3-[1-(furan-2-yl)ethylamino]propanoate
CID 43139742
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
methyl (Z)-2-ethyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
CID 103263533
methyl (Z)-2-ethyl-4-(2-methylpentan-3-ylamino)but-2-enoate
CID 103244160
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 28595486
(E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 104578507

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate (CID 103260102) is methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate is CC/C(=C/CN[C@H](C)c1ccco1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate?
The InChIKey is SMJNWCKVYDNQKI-PAKSIRSJSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-11(13(15)16-3)7-8-14-10(2)12-6-5-9-17-12/h5-7,9-10,14H,4,8H2,1-3H3/b11-7-/t10-/m1/s1.
What are the key properties of methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate?
methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate has a molecular weight of 237.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoate is sourced from PubChem (CID 103260102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).