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

C13H25N3O3 — CID 61185961

IUPAC3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C)C(C)NC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-10(2)11(3)14-13(19)16-8-6-15(7-9-16)5-4-12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyMUZPPZIQVUVNIQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.83
Rot. Bonds5

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

3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid (PubChem CID 61185961) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
PubChem CID61185961
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C)C(C)NC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-10(2)11(3)14-13(19)16-8-6-15(7-9-16)5-4-12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyMUZPPZIQVUVNIQ-UHFFFAOYSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243
3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61188640
3-[4-(pentan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61182383
3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 138985460
3-[4-(2-methylbutylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62691648
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561
3-[4-[2-(aminomethyl)-3-methylbutanoyl]piperazin-1-yl]propanoic acid
CID 65228752
N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
3-[4-(2-methylbutyl)piperazin-1-yl]propanoic acid
CID 62104961
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid (CID 61185961) is 3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid is CC(C)C(C)NC(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
The InChIKey is MUZPPZIQVUVNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(2)11(3)14-13(19)16-8-6-15(7-9-16)5-4-12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid?
3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 61185961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).