1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C13H23N3O3 — CID 63149031

IUPAC1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CCCCC2N)C1
InChIInChI=1S/C13H23N3O3/c1-13(11(17)18)6-7-16(8-13)12(19)15-10-5-3-2-4-9(10)14/h9-10H,2-8,14H2,1H3,(H,15,19)(H,17,18)
InChIKeyGQODBTVKSKPGLC-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.76
Rot. Bonds2

About 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63149031) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63149031
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CCCCC2N)C1
InChIInChI=1S/C13H23N3O3/c1-13(11(17)18)6-7-16(8-13)12(19)15-10-5-3-2-4-9(10)14/h9-10H,2-8,14H2,1H3,(H,15,19)(H,17,18)
InChIKeyGQODBTVKSKPGLC-UHFFFAOYSA-N
XLogP0.76
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015648
1-[(2-aminocyclohexyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149032
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147544
3-methyl-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122002497
1-[[(1S,2R)-2-(3,5-difluorophenoxy)cyclopentyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122014226
1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147981
1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
3-methyl-1-[(2-phenyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004919
3-methyl-1-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122017176
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135568

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63149031) is 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NC2CCCCC2N)C1.
What is the InChIKey of 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GQODBTVKSKPGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(11(17)18)6-7-16(8-13)12(19)15-10-5-3-2-4-9(10)14/h9-10H,2-8,14H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).