4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid

C11H20N2O2 — CID 137373252

IUPAC4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
SMILESN[C@@H](CC1CCN(C(=O)O)CC1)C1CC1
InChIInChI=1S/C11H20N2O2/c12-10(9-1-2-9)7-8-3-5-13(6-4-8)11(14)15/h8-10H,1-7,12H2,(H,14,15)/t10-/m0/s1
InChIKeyDTJRETSPJOHGKO-JTQLQIEISA-N
MW212.29 g/mol
LogP1.50
Rot. Bonds3

About 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid

4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid (PubChem CID 137373252) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
PubChem CID137373252
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
SMILESN[C@@H](CC1CCN(C(=O)O)CC1)C1CC1
InChIInChI=1S/C11H20N2O2/c12-10(9-1-2-9)7-8-3-5-13(6-4-8)11(14)15/h8-10H,1-7,12H2,(H,14,15)/t10-/m0/s1
InChIKeyDTJRETSPJOHGKO-JTQLQIEISA-N
XLogP1.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017812
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-(aminomethyl)azepane-1-carboxylic acid
CID 175902283
4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
CID 87209791
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137373078
4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373160

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid (CID 137373252) is 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid is N[C@@H](CC1CCN(C(=O)O)CC1)C1CC1.
What is the InChIKey of 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid?
The InChIKey is DTJRETSPJOHGKO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2/c12-10(9-1-2-9)7-8-3-5-13(6-4-8)11(14)15/h8-10H,1-7,12H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid?
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137373252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).