3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C15H27N3O3 — CID 63043931

IUPAC3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)CC1CCCN1C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-17(2)10-13-7-4-8-18(13)15(21)16-12-6-3-5-11(9-12)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyAQMMSXIDMOISLX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds4

About 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63043931) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63043931
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)CC1CCCN1C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-17(2)10-13-7-4-8-18(13)15(21)16-12-6-3-5-11(9-12)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyAQMMSXIDMOISLX-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688
cis-(1R,3S)-3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320170
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 55128241
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide
CID 129333301
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobut-2-enoic acid
CID 76975859
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 62889344
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
(2S)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 62889558
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428765

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 63043931) is 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is CN(C)CC1CCCN1C(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is AQMMSXIDMOISLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17(2)10-13-7-4-8-18(13)15(21)16-12-6-3-5-11(9-12)14(19)20/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).