1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid

C13H23N3O3 — CID 81163375

IUPAC1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESCC(CN1CCCC1)NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H23N3O3/c1-10(9-16-7-2-3-8-16)14-12(19)15-13(11(17)18)5-4-6-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyJOPNTIVMJQYDOP-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.78
Rot. Bonds5

About 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid

1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81163375) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid
PubChem CID81163375
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESCC(CN1CCCC1)NC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H23N3O3/c1-10(9-16-7-2-3-8-16)14-12(19)15-13(11(17)18)5-4-6-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyJOPNTIVMJQYDOP-UHFFFAOYSA-N
XLogP0.78
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851533
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163045
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
3-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953755
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163444
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163023
2-(1-hydroxycyclopentyl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 111430549
(2S)-4-methyl-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 61475849

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid (CID 81163375) is 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid is CC(CN1CCCC1)NC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is JOPNTIVMJQYDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(9-16-7-2-3-8-16)14-12(19)15-13(11(17)18)5-4-6-13/h10H,2-9H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid?
1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).