2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid

C14H29N3O2 — CID 20737987

IUPAC2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid
SMILESCC(C)N(C)CCN1CCN(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H29N3O2/c1-12(2)15(5)6-7-16-8-10-17(11-9-16)14(3,4)13(18)19/h12H,6-11H2,1-5H3,(H,18,19)
InChIKeyNSUUXMNXSGMZEM-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.81
Rot. Bonds6

About 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid

2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid (PubChem CID 20737987) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid
PubChem CID20737987
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid
SMILESCC(C)N(C)CCN1CCN(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H29N3O2/c1-12(2)15(5)6-7-16-8-10-17(11-9-16)14(3,4)13(18)19/h12H,6-11H2,1-5H3,(H,18,19)
InChIKeyNSUUXMNXSGMZEM-UHFFFAOYSA-N
XLogP0.81
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid (CID 20737987) is 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid is CC(C)N(C)CCN1CCN(C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid?
The InChIKey is NSUUXMNXSGMZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(2)15(5)6-7-16-8-10-17(11-9-16)14(3,4)13(18)19/h12H,6-11H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid?
2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid has a molecular weight of 271.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-[methyl(propan-2-yl)amino]ethyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 20737987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).