(3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid

C9H17N3O3 — CID 167074767

IUPAC(3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid
SMILESCC(N)C(=O)N1CCC[C@@](N)(C(=O)O)C1
InChIInChI=1S/C9H17N3O3/c1-6(10)7(13)12-4-2-3-9(11,5-12)8(14)15/h6H,2-5,10-11H2,1H3,(H,14,15)/t6?,9-/m0/s1
InChIKeyGHPPCDPEPQDIQX-HSOSERFQSA-N
MW215.25 g/mol
LogP-1.26
Rot. Bonds2

About (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid

(3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid (PubChem CID 167074767) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid
PubChem CID167074767
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid
SMILESCC(N)C(=O)N1CCC[C@@](N)(C(=O)O)C1
InChIInChI=1S/C9H17N3O3/c1-6(10)7(13)12-4-2-3-9(11,5-12)8(14)15/h6H,2-5,10-11H2,1H3,(H,14,15)/t6?,9-/m0/s1
InChIKeyGHPPCDPEPQDIQX-HSOSERFQSA-N
XLogP-1.26
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid (CID 167074767) is (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid is CC(N)C(=O)N1CCC[C@@](N)(C(=O)O)C1.
What is the InChIKey of (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid?
The InChIKey is GHPPCDPEPQDIQX-HSOSERFQSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(10)7(13)12-4-2-3-9(11,5-12)8(14)15/h6H,2-5,10-11H2,1H3,(H,14,15)/t6?,9-/m0/s1.
What are the key properties of (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid?
(3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 167074767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).