ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate

C13H17NO4 — CID 54983961

IUPACethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccoc1C)C1CC1
InChIInChI=1S/C13H17NO4/c1-3-17-12(15)8-14(10-4-5-10)13(16)11-6-7-18-9(11)2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyHULOIGIOMJTXSW-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.76
Rot. Bonds5

About ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate

ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate (PubChem CID 54983961) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
PubChem CID54983961
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccoc1C)C1CC1
InChIInChI=1S/C13H17NO4/c1-3-17-12(15)8-14(10-4-5-10)13(16)11-6-7-18-9(11)2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyHULOIGIOMJTXSW-UHFFFAOYSA-N
XLogP1.76
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide
CID 79115766
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
CID 61410130
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812
2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 154740702
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate
CID 61410098
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methylfuran-3-carboxamide
CID 78811219
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate (CID 54983961) is ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1ccoc1C)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate?
The InChIKey is HULOIGIOMJTXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-17-12(15)8-14(10-4-5-10)13(16)11-6-7-18-9(11)2/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate?
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate has a molecular weight of 251.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate is sourced from PubChem (CID 54983961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).