(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid

C10H20N2O2 — CID 66649453

IUPAC(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C[C@H]1CNCCN1C(=O)O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)6-8-7-11-4-5-12(8)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyPULBBTRJCULTCG-QMMMGPOBSA-N
MW200.28 g/mol
LogP1.37
Rot. Bonds1

About (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid

(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid (PubChem CID 66649453) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
PubChem CID66649453
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C[C@H]1CNCCN1C(=O)O
InChIInChI=1S/C10H20N2O2/c1-10(2,3)6-8-7-11-4-5-12(8)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyPULBBTRJCULTCG-QMMMGPOBSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649395
2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid
CID 22629585
(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid
CID 175159453
2-ethyl-1,4-diazepane-1-carboxylic acid
CID 68851233
acetic acid;azane;1,2-diethylpiperazine
CID 174720092
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid
CID 174210652
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
2-ethylpiperazine-1-carbonyl chloride
CID 151342622
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid?
The IUPAC name of (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid (CID 66649453) is (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid is CC(C)(C)C[C@H]1CNCCN1C(=O)O.
What is the InChIKey of (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid?
The InChIKey is PULBBTRJCULTCG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)6-8-7-11-4-5-12(8)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid?
(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 66649453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).