4-(4-aminobutanoyl)piperazine-1-carboxylic acid

C9H17N3O3 — CID 122623364

IUPAC4-(4-aminobutanoyl)piperazine-1-carboxylic acid
SMILESNCCCC(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C9H17N3O3/c10-3-1-2-8(13)11-4-6-12(7-5-11)9(14)15/h1-7,10H2,(H,14,15)
InChIKeyPWGXBDXXKKHDBZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.45
Rot. Bonds3

About 4-(4-aminobutanoyl)piperazine-1-carboxylic acid

4-(4-aminobutanoyl)piperazine-1-carboxylic acid (PubChem CID 122623364) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(4-aminobutanoyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminobutanoyl)piperazine-1-carboxylic acid
PubChem CID122623364
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-(4-aminobutanoyl)piperazine-1-carboxylic acid
SMILESNCCCC(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C9H17N3O3/c10-3-1-2-8(13)11-4-6-12(7-5-11)9(14)15/h1-7,10H2,(H,14,15)
InChIKeyPWGXBDXXKKHDBZ-UHFFFAOYSA-N
XLogP-0.45
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
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CID 87106938
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
N'-(2-aminoethyl)ethane-1,2-diamine;1,6-bis(aziridin-1-yl)hexane-1,6-dione
CID 175369374
4-(6-sulfanylideneheptanoyl)piperazine-1-carboxylic acid
CID 154374361
4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one
CID 60946858
4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119887218
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409026
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823
2-[4-(7-aminoheptanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823391
4-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119827999

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(4-aminobutanoyl)piperazine-1-carboxylic acid (CID 122623364) is 4-(4-aminobutanoyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4-aminobutanoyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(4-aminobutanoyl)piperazine-1-carboxylic acid is NCCCC(=O)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(4-aminobutanoyl)piperazine-1-carboxylic acid?
The InChIKey is PWGXBDXXKKHDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-3-1-2-8(13)11-4-6-12(7-5-11)9(14)15/h1-7,10H2,(H,14,15).
What are the key properties of 4-(4-aminobutanoyl)piperazine-1-carboxylic acid?
4-(4-aminobutanoyl)piperazine-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 122623364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).