1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide

C13H23N3O2 — CID 114081869

IUPAC1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC2(N)CCCCC2)C1
InChIInChI=1S/C13H23N3O2/c14-12(18)10-4-7-16(9-10)11(17)8-13(15)5-2-1-3-6-13/h10H,1-9,15H2,(H2,14,18)
InChIKeyKNNJHMUMZVLOLQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.37
Rot. Bonds3

About 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide

1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide (PubChem CID 114081869) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
PubChem CID114081869
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC2(N)CCCCC2)C1
InChIInChI=1S/C13H23N3O2/c14-12(18)10-4-7-16(9-10)11(17)8-13(15)5-2-1-3-6-13/h10H,1-9,15H2,(H2,14,18)
InChIKeyKNNJHMUMZVLOLQ-UHFFFAOYSA-N
XLogP0.37
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
2-(1-aminocyclopentyl)-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 113417335
2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 107217433
1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid
CID 79308679
2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662901
2-(1-aminocyclopentyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 64683579
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103495472
1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid
CID 115918559
2-(1-aminocyclopentyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 64684265
2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625298
2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102957332

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide (CID 114081869) is 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)CC2(N)CCCCC2)C1.
What is the InChIKey of 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide?
The InChIKey is KNNJHMUMZVLOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-12(18)10-4-7-16(9-10)11(17)8-13(15)5-2-1-3-6-13/h10H,1-9,15H2,(H2,14,18).
What are the key properties of 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide?
1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114081869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).