4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid

C19H25N3O5 — CID 119239094

IUPAC4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(NCc1ccccc1)NC1(C(=O)N2CCOC(C(=O)O)C2)CCCC1
InChIInChI=1S/C19H25N3O5/c23-16(24)15-13-22(10-11-27-15)17(25)19(8-4-5-9-19)21-18(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,23,24)(H2,20,21,26)
InChIKeyIFSYCNBLEVXHOP-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.11
Rot. Bonds5

About 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid

4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid (PubChem CID 119239094) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid
PubChem CID119239094
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(NCc1ccccc1)NC1(C(=O)N2CCOC(C(=O)O)C2)CCCC1
InChIInChI=1S/C19H25N3O5/c23-16(24)15-13-22(10-11-27-15)17(25)19(8-4-5-9-19)21-18(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,23,24)(H2,20,21,26)
InChIKeyIFSYCNBLEVXHOP-UHFFFAOYSA-N
XLogP1.11
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopentyl]urea
CID 55983063
1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 119409296
4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
CID 71914349
1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 46537305
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 7441648
1-benzyl-3-[1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentyl]urea
CID 112812349
tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate
CID 55971633
4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
CID 146133770
N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 46537087
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 55967731

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid (CID 119239094) is 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid is O=C(NCc1ccccc1)NC1(C(=O)N2CCOC(C(=O)O)C2)CCCC1.
What is the InChIKey of 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
The InChIKey is IFSYCNBLEVXHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c23-16(24)15-13-22(10-11-27-15)17(25)19(8-4-5-9-19)21-18(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,23,24)(H2,20,21,26).
What are the key properties of 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).