(2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid

C9H19N3O2 — CID 66870719

IUPAC(2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid
SMILESCCN1CCN([C@@H](CN)C(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c1-2-11-3-5-12(6-4-11)8(7-10)9(13)14/h8H,2-7,10H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeySISXGUFJVACAAR-QMMMGPOBSA-N
MW201.27 g/mol
LogP-0.96
Rot. Bonds4

About (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid

(2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid (PubChem CID 66870719) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid
PubChem CID66870719
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid
SMILESCCN1CCN([C@@H](CN)C(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c1-2-11-3-5-12(6-4-11)8(7-10)9(13)14/h8H,2-7,10H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeySISXGUFJVACAAR-QMMMGPOBSA-N
XLogP-0.96
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazine-2-carboxylic acid
CID 2723758
Piperazine-2-carboxylic acid dihydrochloride
CID 2723757
4-(Carboxymethyl)piperazine-2-carboxylic acid
CID 13491863
(R)-Piperazine-2-carboxylic acid
CID 6558437
(2S)-piperazine-2-carboxylic acid dihydrochloride
CID 2734260
2-Amino-3-(piperidin-1-yl)propanoic acid
CID 303563
4-Ethylpiperazine-2-carboxylic acid
CID 17919893
(R)-Piperazine-2-carboxylic acid hydrochloride
CID 49864520
(S)-Piperazine-2-carboxylic acid hydrochloride
CID 49864521
1-Ethylpiperazine-2-carboxylic acid
CID 52911181
1-Methylpiperazine-2-carboxylic acid dihydrochloride
CID 75531238
1-Methyl-5-oxopiperazine-2-carboxylic acid
CID 84107661

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid?
The IUPAC name of (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid (CID 66870719) is (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid?
The canonical SMILES for (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid is CCN1CCN([C@@H](CN)C(=O)O)CC1.
What is the InChIKey of (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid?
The InChIKey is SISXGUFJVACAAR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-11-3-5-12(6-4-11)8(7-10)9(13)14/h8H,2-7,10H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid?
(2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid has a molecular weight of 201.27 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(4-ethylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 66870719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).