2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid

C17H25N3O3 — CID 46931248

IUPAC2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)13-6-4-5-7-14(13)19-8-10-20(11-9-19)16(23)18-12-15(21)22/h4-7H,8-12H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyBAZIXHMBHKLDIK-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.90
Rot. Bonds3

About 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid

2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid (PubChem CID 46931248) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
PubChem CID46931248
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)13-6-4-5-7-14(13)19-8-10-20(11-9-19)16(23)18-12-15(21)22/h4-7H,8-12H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyBAZIXHMBHKLDIK-UHFFFAOYSA-N
XLogP1.90
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-(2-tert-butylphenyl)piperazine-1-carboxamide
CID 113103888
4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106291
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 91049311
4-[2-[[2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]ethyl]benzoic acid
CID 66792743
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
4-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 66792788
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618
N-benzyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 66751325
4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 59865822

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid (CID 46931248) is 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid is CC(C)(C)c1ccccc1N1CCN(C(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid?
The InChIKey is BAZIXHMBHKLDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)13-6-4-5-7-14(13)19-8-10-20(11-9-19)16(23)18-12-15(21)22/h4-7H,8-12H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid?
2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid has a molecular weight of 319.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-tert-butylphenyl)piperazine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 46931248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).