4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid

C19H27N3O5 — CID 122076240

IUPAC4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1N1CCCCC1=O
InChIInChI=1S/C19H27N3O5/c1-19(2,10-9-17(24)25)21-18(26)20-13-7-8-15(27-3)14(12-13)22-11-5-4-6-16(22)23/h7-8,12H,4-6,9-11H2,1-3H3,(H,24,25)(H2,20,21,26)
InChIKeyVZWJVKNJJADRKU-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.98
Rot. Bonds7

About 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid

4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122076240) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122076240
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1N1CCCCC1=O
InChIInChI=1S/C19H27N3O5/c1-19(2,10-9-17(24)25)21-18(26)20-13-7-8-15(27-3)14(12-13)22-11-5-4-6-16(22)23/h7-8,12H,4-6,9-11H2,1-3H3,(H,24,25)(H2,20,21,26)
InChIKeyVZWJVKNJJADRKU-UHFFFAOYSA-N
XLogP2.98
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid with MolForge

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Related Compounds

4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122075180
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 146136090
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070
1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112829527

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (CID 122076240) is 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is COc1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1N1CCCCC1=O.
What is the InChIKey of 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is VZWJVKNJJADRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-19(2,10-9-17(24)25)21-18(26)20-13-7-8-15(27-3)14(12-13)22-11-5-4-6-16(22)23/h7-8,12H,4-6,9-11H2,1-3H3,(H,24,25)(H2,20,21,26).
What are the key properties of 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 377.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122076240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).