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

C15H27N3O3 — CID 62634646

IUPAC1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESO=C(NCCN1CCCC1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H27N3O3/c19-13(20)15(7-3-1-2-4-8-15)17-14(21)16-9-12-18-10-5-6-11-18/h1-12H2,(H,19,20)(H2,16,17,21)
InChIKeyHHRNLBPQAJBBAZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.56
Rot. Bonds5

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

1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid (PubChem CID 62634646) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
PubChem CID62634646
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESO=C(NCCN1CCCC1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H27N3O3/c19-13(20)15(7-3-1-2-4-8-15)17-14(21)16-9-12-18-10-5-6-11-18/h1-12H2,(H,19,20)(H2,16,17,21)
InChIKeyHHRNLBPQAJBBAZ-UHFFFAOYSA-N
XLogP1.56
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163045
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1-[(2-pyrrolidin-1-ylethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436892
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
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1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61203572
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 83020129
1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55034653
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid (CID 62634646) is 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid is O=C(NCCN1CCCC1)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is HHRNLBPQAJBBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c19-13(20)15(7-3-1-2-4-8-15)17-14(21)16-9-12-18-10-5-6-11-18/h1-12H2,(H,19,20)(H2,16,17,21).
What are the key properties of 1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.56, 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)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 62634646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).