ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate

C12H15NO4 — CID 54983870

IUPACethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccco1)C1CC1
InChIInChI=1S/C12H15NO4/c1-2-16-11(14)8-13(9-5-6-9)12(15)10-4-3-7-17-10/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyNXQBWANXDFZFAD-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.45
Rot. Bonds5

About ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate

ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate (PubChem CID 54983870) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
PubChem CID54983870
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccco1)C1CC1
InChIInChI=1S/C12H15NO4/c1-2-16-11(14)8-13(9-5-6-9)12(15)10-4-3-7-17-10/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyNXQBWANXDFZFAD-UHFFFAOYSA-N
XLogP1.45
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
ethyl 2-[cyclopropyl(1,2-oxazole-5-carbonyl)amino]acetate
CID 55005865
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60732998
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]furan-2-carboxamide
CID 42759774
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
CID 61164393
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate
CID 61410098

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate (CID 54983870) is ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1ccco1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate?
The InChIKey is NXQBWANXDFZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-16-11(14)8-13(9-5-6-9)12(15)10-4-3-7-17-10/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate?
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate has a molecular weight of 237.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate is sourced from PubChem (CID 54983870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).