2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 64814509

IUPAC2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C)c1cccc(C(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-17(2)11-6-3-5-10(9-11)14(18)16-13-8-4-7-12(13)15(19)20/h3,5-6,9,12-13H,4,7-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyYCRCXDRGSYJHNW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds4

About 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid

2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64814509) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64814509
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C)c1cccc(C(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O3/c1-17(2)11-6-3-5-10(9-11)14(18)16-13-8-4-7-12(13)15(19)20/h3,5-6,9,12-13H,4,7-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyYCRCXDRGSYJHNW-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 66220726
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813950
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
cis-(1S,2R)-2-[(3-acetamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 136582322

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 64814509) is 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid is CN(C)c1cccc(C(=O)NC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YCRCXDRGSYJHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(2)11-6-3-5-10(9-11)14(18)16-13-8-4-7-12(13)15(19)20/h3,5-6,9,12-13H,4,7-8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid?
2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).