2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 64814781

IUPAC2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C)N1C(C)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C16H28N2O3/c1-10-8-9-11(2)18(10)12(3)15(19)17-14-7-5-4-6-13(14)16(20)21/h10-14H,4-9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeySOUICTUDDJQFHE-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds4

About 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid

2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64814781) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID64814781
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C)N1C(C)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C16H28N2O3/c1-10-8-9-11(2)18(10)12(3)15(19)17-14-7-5-4-6-13(14)16(20)21/h10-14H,4-9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeySOUICTUDDJQFHE-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 63251542
2-(2-cyclopropylpropanoylamino)cyclopentane-1-carboxylic acid
CID 83146564
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 64815182
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812498
2-(2,4-dimethylpent-4-enoylamino)cyclooctane-1-carboxylic acid
CID 120688808
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
(2R)-1-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid
CID 79034494
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid (CID 64814781) is 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid is CC1CCC(C)N1C(C)C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SOUICTUDDJQFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10-8-9-11(2)18(10)12(3)15(19)17-14-7-5-4-6-13(14)16(20)21/h10-14H,4-9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid?
2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64814781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).