3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid

C18H23N3O4 — CID 139022011

IUPAC3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)NC1CC(C(=O)O)C1
InChIInChI=1S/C18H23N3O4/c22-16-6-13(11-21(16)10-12-4-2-1-3-5-12)9-19-18(25)20-15-7-14(8-15)17(23)24/h1-5,13-15H,6-11H2,(H,23,24)(H2,19,20,25)
InChIKeyQZEWWGOOSQIBMZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.20
Rot. Bonds6

About 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid

3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 139022011) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID139022011
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)NC1CC(C(=O)O)C1
InChIInChI=1S/C18H23N3O4/c22-16-6-13(11-21(16)10-12-4-2-1-3-5-12)9-19-18(25)20-15-7-14(8-15)17(23)24/h1-5,13-15H,6-11H2,(H,23,24)(H2,19,20,25)
InChIKeyQZEWWGOOSQIBMZ-UHFFFAOYSA-N
XLogP1.20
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 16920317
9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993634
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid (CID 139022011) is 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid is O=C(NCC1CC(=O)N(Cc2ccccc2)C1)NC1CC(C(=O)O)C1.
What is the InChIKey of 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is QZEWWGOOSQIBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-16-6-13(11-21(16)10-12-4-2-1-3-5-12)9-19-18(25)20-15-7-14(8-15)17(23)24/h1-5,13-15H,6-11H2,(H,23,24)(H2,19,20,25).
What are the key properties of 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid?
3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 139022011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).