3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid

C18H25N3O5 — CID 122076235

IUPAC3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(NC(=O)N(C)CC(C)C(=O)O)cc1N1CCCCC1=O
InChIInChI=1S/C18H25N3O5/c1-12(17(23)24)11-20(2)18(25)19-13-7-8-15(26-3)14(10-13)21-9-5-4-6-16(21)22/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,25)(H,23,24)
InChIKeyGECFVPVXLYTVET-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.40
Rot. Bonds6

About 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid

3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122076235) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122076235
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(NC(=O)N(C)CC(C)C(=O)O)cc1N1CCCCC1=O
InChIInChI=1S/C18H25N3O5/c1-12(17(23)24)11-20(2)18(25)19-13-7-8-15(26-3)14(10-13)21-9-5-4-6-16(21)22/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,25)(H,23,24)
InChIKeyGECFVPVXLYTVET-UHFFFAOYSA-N
XLogP2.40
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1-methylurea
CID 56566060
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 47041591
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide
CID 119724590
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
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55838376
3-[[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086478

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid (CID 122076235) is 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid is COc1ccc(NC(=O)N(C)CC(C)C(=O)O)cc1N1CCCCC1=O.
What is the InChIKey of 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is GECFVPVXLYTVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-12(17(23)24)11-20(2)18(25)19-13-7-8-15(26-3)14(10-13)21-9-5-4-6-16(21)22/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,19,25)(H,23,24).
What are the key properties of 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid?
3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 363.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122076235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).