5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid

C12H14N2O5 — CID 113432372

IUPAC5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
SMILESO=C(CCNC(=O)c1cc(C(=O)O)co1)NC1CC1
InChIInChI=1S/C12H14N2O5/c15-10(14-8-1-2-8)3-4-13-11(16)9-5-7(6-19-9)12(17)18/h5-6,8H,1-4H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyIXUABOIMMPKGBH-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.38
Rot. Bonds6

About 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid

5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 113432372) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
PubChem CID113432372
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
SMILESO=C(CCNC(=O)c1cc(C(=O)O)co1)NC1CC1
InChIInChI=1S/C12H14N2O5/c15-10(14-8-1-2-8)3-4-13-11(16)9-5-7(6-19-9)12(17)18/h5-6,8H,1-4H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyIXUABOIMMPKGBH-UHFFFAOYSA-N
XLogP0.38
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid
CID 104607397
5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
CID 104607014
5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid
CID 104623373
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
5-(chloromethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]furan-2-carboxamide
CID 82110990
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3,5-difluorobenzoic acid
CID 79400805
5-[(2-methylcyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 107420211
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229008

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid (CID 113432372) is 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid is O=C(CCNC(=O)c1cc(C(=O)O)co1)NC1CC1.
What is the InChIKey of 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is IXUABOIMMPKGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-10(14-8-1-2-8)3-4-13-11(16)9-5-7(6-19-9)12(17)18/h5-6,8H,1-4H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid?
5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).