2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid

C14H25N3O3 — CID 79851533

IUPAC2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
SMILESCC(CN1CCCC1)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H25N3O3/c1-11(10-17-7-2-3-8-17)15-13(20)16-14(5-4-6-14)9-12(18)19/h11H,2-10H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyGKSOYPGAALAGGQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.17
Rot. Bonds6

About 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79851533) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79851533
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
SMILESCC(CN1CCCC1)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H25N3O3/c1-11(10-17-7-2-3-8-17)15-13(20)16-14(5-4-6-14)9-12(18)19/h11H,2-10H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyGKSOYPGAALAGGQ-UHFFFAOYSA-N
XLogP1.17
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163375
2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 82939315
2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 114131763
2-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64702045
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860
3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953755
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid (CID 79851533) is 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid is CC(CN1CCCC1)NC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is GKSOYPGAALAGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(10-17-7-2-3-8-17)15-13(20)16-14(5-4-6-14)9-12(18)19/h11H,2-10H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79851533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).