3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid

C11H21N3O3 — CID 43522243

IUPAC3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C)NC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-9(2)12-11(17)14-7-5-13(6-8-14)4-3-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyJNYRGMPXRORVNL-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds4

About 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid

3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid (PubChem CID 43522243) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
PubChem CID43522243
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C)NC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-9(2)12-11(17)14-7-5-13(6-8-14)4-3-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyJNYRGMPXRORVNL-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61188640
3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61185961
3-[4-(pentan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61182383
N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
4-(2-morpholin-4-ylethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113073717
3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 138985460
3-[4-(2-methylbutylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62691648
4-(4-aminobutyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 43252419
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid (CID 43522243) is 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid is CC(C)NC(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
The InChIKey is JNYRGMPXRORVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9(2)12-11(17)14-7-5-13(6-8-14)4-3-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).