2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid

C12H17NO3 — CID 115221615

IUPAC2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CN(C)CC2CC2C(=O)O)o1
InChIInChI=1S/C12H17NO3/c1-8-3-4-10(16-8)7-13(2)6-9-5-11(9)12(14)15/h3-4,9,11H,5-7H2,1-2H3,(H,14,15)
InChIKeyNENOIQPZUCYNTI-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.74
Rot. Bonds5

About 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid

2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221615) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221615
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CN(C)CC2CC2C(=O)O)o1
InChIInChI=1S/C12H17NO3/c1-8-3-4-10(16-8)7-13(2)6-9-5-11(9)12(14)15/h3-4,9,11H,5-7H2,1-2H3,(H,14,15)
InChIKeyNENOIQPZUCYNTI-UHFFFAOYSA-N
XLogP1.74
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221617
cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93378560
4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62615573
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 66009251
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide
CID 63571424
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119958218
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 43526400
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61199226

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115221615) is 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid is Cc1ccc(CN(C)CC2CC2C(=O)O)o1.
What is the InChIKey of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NENOIQPZUCYNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-3-4-10(16-8)7-13(2)6-9-5-11(9)12(14)15/h3-4,9,11H,5-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid?
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).