4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid

C17H20N4O4 — CID 122092507

IUPAC4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOc1cnc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)nc1
InChIInChI=1S/C17H20N4O4/c1-25-14-10-18-16(19-11-14)21-17(24)20-13(7-8-15(22)23)9-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,22,23)(H2,18,19,20,21,24)
InChIKeyXSAYFTXHEIYILU-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.08
Rot. Bonds8

About 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid

4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122092507) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122092507
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOc1cnc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)nc1
InChIInChI=1S/C17H20N4O4/c1-25-14-10-18-16(19-11-14)21-17(24)20-13(7-8-15(22)23)9-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,22,23)(H2,18,19,20,21,24)
InChIKeyXSAYFTXHEIYILU-UHFFFAOYSA-N
XLogP2.08
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid
CID 122086037
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122077963
4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122093496
4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546722
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546697
4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid
CID 120690192
5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid
CID 122093742
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid (CID 122092507) is 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid is COc1cnc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)nc1.
What is the InChIKey of 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is XSAYFTXHEIYILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-25-14-10-18-16(19-11-14)21-17(24)20-13(7-8-15(22)23)9-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3,(H,22,23)(H2,18,19,20,21,24).
What are the key properties of 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid?
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 344.37 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122092507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).