4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid

C20H25N3O3 — CID 122027367

IUPAC4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCN(Cc1ccncc1)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-2-23(15-17-10-12-21-13-11-17)20(26)22-18(8-9-19(24)25)14-16-6-4-3-5-7-16/h3-7,10-13,18H,2,8-9,14-15H2,1H3,(H,22,26)(H,24,25)
InChIKeyHRNGUOJCAJSDDG-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.09
Rot. Bonds9

About 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid

4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122027367) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122027367
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCN(Cc1ccncc1)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-2-23(15-17-10-12-21-13-11-17)20(26)22-18(8-9-19(24)25)14-16-6-4-3-5-7-16/h3-7,10-13,18H,2,8-9,14-15H2,1H3,(H,22,26)(H,24,25)
InChIKeyHRNGUOJCAJSDDG-UHFFFAOYSA-N
XLogP3.09
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362
4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028164
4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027679
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 82846735
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756242
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid (CID 122027367) is 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid is CCN(Cc1ccncc1)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is HRNGUOJCAJSDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-23(15-17-10-12-21-13-11-17)20(26)22-18(8-9-19(24)25)14-16-6-4-3-5-7-16/h3-7,10-13,18H,2,8-9,14-15H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid?
4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 355.44 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).