1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid

C14H24N2O3 — CID 121494294

IUPAC1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid
SMILESCC(CN1CCCC1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-11(10-15-6-2-3-7-15)13(17)16-8-4-12(5-9-16)14(18)19/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyLSMUAIYPDBSIOU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds4

About 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid

1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid (PubChem CID 121494294) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid
PubChem CID121494294
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid
SMILESCC(CN1CCCC1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-11(10-15-6-2-3-7-15)13(17)16-8-4-12(5-9-16)14(18)19/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyLSMUAIYPDBSIOU-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958
3-amino-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62668546
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
CID 120512247
4-hydroxy-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499295
1-[4-[[1-(azepan-1-yl)propan-2-ylamino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 56701957
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid (CID 121494294) is 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid is CC(CN1CCCC1)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid?
The InChIKey is LSMUAIYPDBSIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(10-15-6-2-3-7-15)13(17)16-8-4-12(5-9-16)14(18)19/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid?
1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 121494294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).