4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid

C18H22N2O4 — CID 122027340

IUPAC4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCN(Cc1ccco1)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H22N2O4/c1-20(13-16-8-5-11-24-16)18(23)19-15(9-10-17(21)22)12-14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyRSWUASTYFRTDJO-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.90
Rot. Bonds8

About 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid

4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122027340) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122027340
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCN(Cc1ccco1)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H22N2O4/c1-20(13-16-8-5-11-24-16)18(23)19-15(9-10-17(21)22)12-14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyRSWUASTYFRTDJO-UHFFFAOYSA-N
XLogP2.90
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[[3-(dimethylamino)phenyl]methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027640
4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027344
4-[[(4-cyanophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027296
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028340
4-[[methyl-[2-(oxan-4-yl)ethyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122027689
4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027220
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119958302
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027954

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid (CID 122027340) is 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid is CN(Cc1ccco1)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is RSWUASTYFRTDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-20(13-16-8-5-11-24-16)18(23)19-15(9-10-17(21)22)12-14-6-3-2-4-7-14/h2-8,11,15H,9-10,12-13H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid?
4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 330.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).