2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid

C15H26N2O3 — CID 171423848

IUPAC2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C(=O)NC1CCC(N2CCCC2)CC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10(2)14(18)16-13-6-5-11(9-12(13)15(19)20)17-7-3-4-8-17/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDLZPINWGVZPGRP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds4

About 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid

2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid (PubChem CID 171423848) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
PubChem CID171423848
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C(=O)NC1CCC(N2CCCC2)CC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10(2)14(18)16-13-6-5-11(9-12(13)15(19)20)17-7-3-4-8-17/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDLZPINWGVZPGRP-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-piperidin-1-ylcyclohexane-1-carboxylic acid
CID 71603394
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103247689
3-(4-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821304
2-(2-cyclopropylpropanoylamino)cyclopentane-1-carboxylic acid
CID 83146564
2-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814781
2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
CID 102627481
1-ethyl-2-(2-methylpropanoylamino)pyrrolidine-3-carboxylic acid
CID 22117913
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
(4-piperidin-1-ylcyclohexyl) 2-methylpropanoate
CID 15223
2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 103262606
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid (CID 171423848) is 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid is CC(C)C(=O)NC1CCC(N2CCCC2)CC1C(=O)O.
What is the InChIKey of 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is DLZPINWGVZPGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(2)14(18)16-13-6-5-11(9-12(13)15(19)20)17-7-3-4-8-17/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)-5-pyrrolidin-1-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 171423848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).