2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid

C14H27N3O2 — CID 63909663

IUPAC2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid
SMILESCC(C)(C)N1CCN(CC(N)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-13(2,3)17-8-6-16(7-9-17)10-14(15,12(18)19)11-4-5-11/h11H,4-10,15H2,1-3H3,(H,18,19)
InChIKeyVAECIXUVJCGVBU-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.59
Rot. Bonds4

About 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid

2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid (PubChem CID 63909663) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid
PubChem CID63909663
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid
SMILESCC(C)(C)N1CCN(CC(N)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-13(2,3)17-8-6-16(7-9-17)10-14(15,12(18)19)11-4-5-11/h11H,4-10,15H2,1-3H3,(H,18,19)
InChIKeyVAECIXUVJCGVBU-UHFFFAOYSA-N
XLogP0.59
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
CID 63909774
2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926025
2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile
CID 63912920
2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66371178
methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
2-amino-2-cyclopropyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81199839
methyl 2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 63908493
methyl 2-amino-2-cyclopropyl-3-(4-methylsulfonylpiperazin-1-yl)propanoate
CID 63927438
2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
CID 63925019
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid (CID 63909663) is 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid is CC(C)(C)N1CCN(CC(N)(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid?
The InChIKey is VAECIXUVJCGVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2,3)17-8-6-16(7-9-17)10-14(15,12(18)19)11-4-5-11/h11H,4-10,15H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid?
2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 63909663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).