2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid

C12H15NO4 — CID 54945910

IUPAC2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)c(C)o1
InChIInChI=1S/C12H15NO4/c1-7-5-10(8(2)17-7)12(16)13(6-11(14)15)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyJDPYIPKYPKKKQM-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.59
Rot. Bonds4

About 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid

2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid (PubChem CID 54945910) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
PubChem CID54945910
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)c(C)o1
InChIInChI=1S/C12H15NO4/c1-7-5-10(8(2)17-7)12(16)13(6-11(14)15)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyJDPYIPKYPKKKQM-UHFFFAOYSA-N
XLogP1.59
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
CID 102872648
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
N-(azetidin-3-yl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 66181383
N-ethyl-2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 60807715
2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid
CID 113396470
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5203446
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
CID 7225250
2-[(2,5-dimethylfuran-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990637
2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 154740702
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 8833901
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
CID 60826114
N,2,5-trimethyl-N-[4-(propylamino)cyclohexyl]furan-3-carboxamide
CID 79116538

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid (CID 54945910) is 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)C2CC2)c(C)o1.
What is the InChIKey of 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
The InChIKey is JDPYIPKYPKKKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7-5-10(8(2)17-7)12(16)13(6-11(14)15)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid?
2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54945910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).