4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid

C19H23N3O4 — CID 122086037

IUPAC4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOc1ncc(C)cc1NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H23N3O4/c1-13-10-16(18(26-2)20-12-13)22-19(25)21-15(8-9-17(23)24)11-14-6-4-3-5-7-14/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyWLAAIVLFURPYQB-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.00
Rot. Bonds8

About 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid

4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122086037) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122086037
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOc1ncc(C)cc1NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H23N3O4/c1-13-10-16(18(26-2)20-12-13)22-19(25)21-15(8-9-17(23)24)11-14-6-4-3-5-7-14/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyWLAAIVLFURPYQB-UHFFFAOYSA-N
XLogP3.00
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122093496
4-[(2-methyl-5-methylsulfanylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088884
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058
4-[(2-methyl-4-nitrophenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122090156
4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122091996
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122077963
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(4-acetyl-3-methylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088165

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid (CID 122086037) is 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid is COc1ncc(C)cc1NC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is WLAAIVLFURPYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-10-16(18(26-2)20-12-13)22-19(25)21-15(8-9-17(23)24)11-14-6-4-3-5-7-14/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid?
4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 357.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122086037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).