4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid

C19H22N2O5 — CID 120547174

IUPAC4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C19H22N2O5/c22-17(10-11-20-19(25)16-7-4-12-26-16)21-15(8-9-18(23)24)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,20,25)(H,21,22)(H,23,24)
InChIKeyJEUPCQCYDJWRRE-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.99
Rot. Bonds10

About 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid

4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid (PubChem CID 120547174) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid
PubChem CID120547174
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C19H22N2O5/c22-17(10-11-20-19(25)16-7-4-12-26-16)21-15(8-9-18(23)24)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,20,25)(H,21,22)(H,23,24)
InChIKeyJEUPCQCYDJWRRE-UHFFFAOYSA-N
XLogP1.99
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-carbonylamino)propanoic acid
CID 762504
4-[3-(2,2-dimethylpropanoylamino)propanoylamino]-5-phenylpentanoic acid
CID 120546957
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479824
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 42958354
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
4-[(3-bromofuran-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547237

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid (CID 120547174) is 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid?
The InChIKey is JEUPCQCYDJWRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-17(10-11-20-19(25)16-7-4-12-26-16)21-15(8-9-18(23)24)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid?
4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid has a molecular weight of 358.39 g/mol, XLogP of 1.99, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).