(2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid

C9H16N2O3 — CID 66262818

IUPAC(2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(10)8(12)11-5-3-2-4-7(11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)/t6-,7-/m0/s1
InChIKeyAAIZXOGYZSKRPV-BQBZGAKWSA-N
MW200.24 g/mol
LogP-0.20
Rot. Bonds2

About (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid

(2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid (PubChem CID 66262818) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid
PubChem CID66262818
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(10)8(12)11-5-3-2-4-7(11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)/t6-,7-/m0/s1
InChIKeyAAIZXOGYZSKRPV-BQBZGAKWSA-N
XLogP-0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid (CID 66262818) is (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid is C[C@H](N)C(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid?
The InChIKey is AAIZXOGYZSKRPV-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(10)8(12)11-5-3-2-4-7(11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)/t6-,7-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid?
(2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-aminopropanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66262818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).