2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid

C13H23N3O3 — CID 64699503

IUPAC2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid
SMILESCN1CCC(NC(=O)NC2(CC(=O)O)CCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-16-7-4-10(9-16)14-12(19)15-13(8-11(17)18)5-2-3-6-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyOIUOWMRJFHOSHL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.78
Rot. Bonds4

About 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid

2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid (PubChem CID 64699503) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid
PubChem CID64699503
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid
SMILESCN1CCC(NC(=O)NC2(CC(=O)O)CCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-16-7-4-10(9-16)14-12(19)15-13(8-11(17)18)5-2-3-6-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyOIUOWMRJFHOSHL-UHFFFAOYSA-N
XLogP0.78
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
2-[1-[(4-methylcyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845568
2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid
CID 114548722
2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79845778
2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845890
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
2-[1-(methylamino)cyclohexyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 65240925
2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 82729085
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
3-methyl-3-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 64702434
2-[1-(piperidin-1-ylcarbamoylamino)cyclohexyl]acetic acid
CID 83020209

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid (CID 64699503) is 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid is CN1CCC(NC(=O)NC2(CC(=O)O)CCCC2)C1.
What is the InChIKey of 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid?
The InChIKey is OIUOWMRJFHOSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-16-7-4-10(9-16)14-12(19)15-13(8-11(17)18)5-2-3-6-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid?
2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64699503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).