4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid

C8H16N2O2 — CID 137372946

IUPAC4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
SMILESC[C@H](N)C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-6(9)7-2-4-10(5-3-7)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyTVXYGFDZKPARQO-LURJTMIESA-N
MW172.23 g/mol
LogP0.72
Rot. Bonds1

About 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid

4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid (PubChem CID 137372946) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
PubChem CID137372946
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
SMILESC[C@H](N)C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-6(9)7-2-4-10(5-3-7)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyTVXYGFDZKPARQO-LURJTMIESA-N
XLogP0.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-bromoethyl)piperidine-1-carboxylic acid
CID 22936412
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 119519463
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one
CID 115737084
[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175284066
4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide
CID 63596385
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372
(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid
CID 166745692
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119520526

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid (CID 137372946) is 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid is C[C@H](N)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid?
The InChIKey is TVXYGFDZKPARQO-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(9)7-2-4-10(5-3-7)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid?
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137372946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).