1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid

C13H19NO3 — CID 114990379

IUPAC1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccco2)CCCCCC1
InChIInChI=1S/C13H19NO3/c15-12(16)13(7-3-1-2-4-8-13)14-10-11-6-5-9-17-11/h5-6,9,14H,1-4,7-8,10H2,(H,15,16)
InChIKeySVMZKVPJWKTRGP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.55
Rot. Bonds4

About 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid

1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid (PubChem CID 114990379) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
PubChem CID114990379
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccco2)CCCCCC1
InChIInChI=1S/C13H19NO3/c15-12(16)13(7-3-1-2-4-8-13)14-10-11-6-5-9-17-11/h5-6,9,14H,1-4,7-8,10H2,(H,15,16)
InChIKeySVMZKVPJWKTRGP-UHFFFAOYSA-N
XLogP2.55
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114990378
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 114990407
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
1-(furan-2-ylmethylamino)-2-methylcyclohexane-1-carboxylic acid
CID 114990376
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396554
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197524
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 158095708
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81167549
N-(furan-2-ylmethyl)-2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025362

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid (CID 114990379) is 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid is O=C(O)C1(NCc2ccco2)CCCCCC1.
What is the InChIKey of 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid?
The InChIKey is SVMZKVPJWKTRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-12(16)13(7-3-1-2-4-8-13)14-10-11-6-5-9-17-11/h5-6,9,14H,1-4,7-8,10H2,(H,15,16).
What are the key properties of 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid?
1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 114990379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).