2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 103979109

IUPAC2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(CN(C)C)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(7-14(2)3)13-11(15)9-5-4-6-10(9)12(16)17/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyUGGRIYCTVAPPFR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.55
Rot. Bonds5

About 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid

2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103979109) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103979109
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(CN(C)C)NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(7-14(2)3)13-11(15)9-5-4-6-10(9)12(16)17/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyUGGRIYCTVAPPFR-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978652
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
2-amino-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82937442
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103979109) is 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid is CC(CN(C)C)NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is UGGRIYCTVAPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(7-14(2)3)13-11(15)9-5-4-6-10(9)12(16)17/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).