(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid

C12H22N2O3 — CID 103927215

IUPAC(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C1CCNCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(11(16)17)14-10(15)8-4-6-13-7-5-8/h8-9,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyFMJXEGQABWEASE-VIFPVBQESA-N
MW242.32 g/mol
LogP0.60
Rot. Bonds3

About (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid

(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid (PubChem CID 103927215) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid
PubChem CID103927215
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C1CCNCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(11(16)17)14-10(15)8-4-6-13-7-5-8/h8-9,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyFMJXEGQABWEASE-VIFPVBQESA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3,3-dimethyl-2-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 113353183
3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 83192584
2-(cyclohex-3-ene-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467873
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
2-(cyclobutanecarbonylamino)-3-methyl-3-sulfanylbutanoic acid
CID 16776269
(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926722
(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 63902962
3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 63714654
N-[(1R)-1-cyclohexylethyl]piperidine-4-carboxamide
CID 81385810
(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid
CID 61144089
5-(piperidine-4-carbonylamino)hexanoic acid
CID 82844939
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 106703269

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid (CID 103927215) is (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid is CC(C)(C)[C@@H](NC(=O)C1CCNCC1)C(=O)O.
What is the InChIKey of (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid?
The InChIKey is FMJXEGQABWEASE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)9(11(16)17)14-10(15)8-4-6-13-7-5-8/h8-9,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid?
(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 103927215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).