4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid

C21H26N2O5 — CID 122028366

IUPAC4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
SMILESCc1ccc(C2COCCN2C(=O)NC(CCC(=O)O)Cc2ccccc2)o1
InChIInChI=1S/C21H26N2O5/c1-15-7-9-19(28-15)18-14-27-12-11-23(18)21(26)22-17(8-10-20(24)25)13-16-5-3-2-4-6-16/h2-7,9,17-18H,8,10-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyKJJDVKVXSJDAEM-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.15
Rot. Bonds7

About 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid

4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122028366) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122028366
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
SMILESCc1ccc(C2COCCN2C(=O)NC(CCC(=O)O)Cc2ccccc2)o1
InChIInChI=1S/C21H26N2O5/c1-15-7-9-19(28-15)18-14-27-12-11-23(18)21(26)22-17(8-10-20(24)25)13-16-5-3-2-4-6-16/h2-7,9,17-18H,8,10-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyKJJDVKVXSJDAEM-UHFFFAOYSA-N
XLogP3.15
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

(3R)-N-[(2S)-2-methoxy-2-phenylethyl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 97071356
4-[[2-(furan-2-yl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028373
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
3-(5-methylfuran-2-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]morpholine-4-carboxamide
CID 136513663
4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027113
5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 122028391
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 120976917
4-[(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonane-2-carbonyl)amino]-5-phenylpentanoic acid
CID 122027524
4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027495
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid (CID 122028366) is 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid is Cc1ccc(C2COCCN2C(=O)NC(CCC(=O)O)Cc2ccccc2)o1.
What is the InChIKey of 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is KJJDVKVXSJDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-15-7-9-19(28-15)18-14-27-12-11-23(18)21(26)22-17(8-10-20(24)25)13-16-5-3-2-4-6-16/h2-7,9,17-18H,8,10-14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid?
4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 386.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).