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

C18H25N3O5 — CID 122075180

IUPAC4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCOc1cc(NC(=O)NC(C)(C)CCC(=O)O)ccc1N1CCCC1=O
InChIInChI=1S/C18H25N3O5/c1-18(2,9-8-16(23)24)20-17(25)19-12-6-7-13(14(11-12)26-3)21-10-4-5-15(21)22/h6-7,11H,4-5,8-10H2,1-3H3,(H,23,24)(H2,19,20,25)
InChIKeyPMEAHTPIKQRPJE-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.59
Rot. Bonds7

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

4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122075180) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122075180
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCOc1cc(NC(=O)NC(C)(C)CCC(=O)O)ccc1N1CCCC1=O
InChIInChI=1S/C18H25N3O5/c1-18(2,9-8-16(23)24)20-17(25)19-12-6-7-13(14(11-12)26-3)21-10-4-5-15(21)22/h6-7,11H,4-5,8-10H2,1-3H3,(H,23,24)(H2,19,20,25)
InChIKeyPMEAHTPIKQRPJE-UHFFFAOYSA-N
XLogP2.59
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618
2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180002
4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid
CID 122092164
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
4-methyl-4-[(1-methyl-2-oxo-3H-indol-5-yl)carbamoylamino]pentanoic acid
CID 122092019
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
(1R,6S)-6-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 95570309

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (CID 122075180) is 4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is COc1cc(NC(=O)NC(C)(C)CCC(=O)O)ccc1N1CCCC1=O.
What is the InChIKey of 4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is PMEAHTPIKQRPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-18(2,9-8-16(23)24)20-17(25)19-12-6-7-13(14(11-12)26-3)21-10-4-5-15(21)22/h6-7,11H,4-5,8-10H2,1-3H3,(H,23,24)(H2,19,20,25).
What are the key properties of 4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 363.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122075180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).