(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid

C13H22N2O3 — CID 81126254

IUPAC(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC1CCC1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-14(8-10-4-2-5-10)13(18)15-7-3-6-11(9-15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyCUWRIZWEXTUUDK-NSHDSACASA-N
MW254.33 g/mol
LogP1.63
Rot. Bonds3

About (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81126254) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81126254
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC1CCC1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-14(8-10-4-2-5-10)13(18)15-7-3-6-11(9-15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyCUWRIZWEXTUUDK-NSHDSACASA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 115621970
(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126391
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278576
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 79385471
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749
1-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79314977
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
1-[cyclohexylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721123
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid (CID 81126254) is (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid is CN(CC1CCC1)C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CUWRIZWEXTUUDK-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14(8-10-4-2-5-10)13(18)15-7-3-6-11(9-15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81126254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).