1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid

C12H21N3O3 — CID 81163045

IUPAC1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NCCN1CCCC1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H21N3O3/c16-10(17)12(4-3-5-12)14-11(18)13-6-9-15-7-1-2-8-15/h1-9H2,(H,16,17)(H2,13,14,18)
InChIKeyBSMBBHWGGVEFAG-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.39
Rot. Bonds5

About 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid

1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81163045) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
PubChem CID81163045
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NCCN1CCCC1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H21N3O3/c16-10(17)12(4-3-5-12)14-11(18)13-6-9-15-7-1-2-8-15/h1-9H2,(H,16,17)(H2,13,14,18)
InChIKeyBSMBBHWGGVEFAG-UHFFFAOYSA-N
XLogP0.39
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
1-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
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1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
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1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55034653
1-[(2-pyrrolidin-1-ylethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436892
1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163375
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
2-[1-(2-morpholin-4-ylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846735
1-[2-(cyclohexen-1-yl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107855984
1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61461432
1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 54867602

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid (CID 81163045) is 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid is O=C(NCCN1CCCC1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is BSMBBHWGGVEFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-10(17)12(4-3-5-12)14-11(18)13-6-9-15-7-1-2-8-15/h1-9H2,(H,16,17)(H2,13,14,18).
What are the key properties of 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid?
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).