(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid

C9H18N2O2 — CID 51704160

IUPAC(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESC[C@H](CN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-8(9(12)13)7-11-5-3-10(2)4-6-11/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyPXIPVDJAXDUQCH-MRVPVSSYSA-N
MW186.25 g/mol
LogP-0.05
Rot. Bonds3

About (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid

(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid (PubChem CID 51704160) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
PubChem CID51704160
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESC[C@H](CN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-8(9(12)13)7-11-5-3-10(2)4-6-11/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyPXIPVDJAXDUQCH-MRVPVSSYSA-N
XLogP-0.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 43538757
3,3,3-trifluoro-2-[(4-methylpiperazin-1-yl)methyl]propanoic acid
CID 80995891
4-(aziridin-1-yl)-3-methylbutan-2-one
CID 45085269
3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
CID 82323000
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
CID 142749204
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanoic acid
CID 107405121

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid (CID 51704160) is (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid is C[C@H](CN1CCN(C)CC1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is PXIPVDJAXDUQCH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(9(12)13)7-11-5-3-10(2)4-6-11/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid?
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 51704160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).