2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid

C14H27N3O3 — CID 62777323

IUPAC2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-5-12(13(18)19)15(4)14(20)17-8-6-16(7-9-17)10-11(2)3/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyXZBFCFMUPSFQQK-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.17
Rot. Bonds5

About 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid

2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid (PubChem CID 62777323) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
PubChem CID62777323
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-5-12(13(18)19)15(4)14(20)17-8-6-16(7-9-17)10-11(2)3/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyXZBFCFMUPSFQQK-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-methylamino]butanoic acid
CID 107223923
2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid
CID 62776812
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-methylamino]butanoic acid
CID 81474668
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[methyl-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]butanoic acid
CID 79094458
2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 79407898
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61200830

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid (CID 62777323) is 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid?
The InChIKey is XZBFCFMUPSFQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-12(13(18)19)15(4)14(20)17-8-6-16(7-9-17)10-11(2)3/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid?
2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 62777323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).