1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

C15H25N3O3 — CID 114425473

IUPAC1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC2CCN(C3CC3)C2)C(C(=O)O)C1
InChIInChI=1S/C15H25N3O3/c1-10-4-7-18(13(8-10)14(19)20)15(21)16-11-5-6-17(9-11)12-2-3-12/h10-13H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyJAPMTWDIJKGXNC-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.12
Rot. Bonds3

About 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425473) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425473
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC2CCN(C3CC3)C2)C(C(=O)O)C1
InChIInChI=1S/C15H25N3O3/c1-10-4-7-18(13(8-10)14(19)20)15(21)16-11-5-6-17(9-11)12-2-3-12/h10-13H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyJAPMTWDIJKGXNC-UHFFFAOYSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000138
1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425643
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114549127
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071548
1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425181
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425404
2-[(1-cyclopropylpyrrolidin-3-yl)amino]cyclobutane-1-carboxylic acid
CID 103244988
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425408
N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-2-carboxamide
CID 114423855

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425473) is 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)NC2CCN(C3CC3)C2)C(C(=O)O)C1.
What is the InChIKey of 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is JAPMTWDIJKGXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-4-7-18(13(8-10)14(19)20)15(21)16-11-5-6-17(9-11)12-2-3-12/h10-13H,2-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).