2-amino-3-(4-methylpiperazin-1-yl)propanoic acid

C8H17N3O2 — CID 10611336

IUPAC2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CC(N)C(=O)O)CC1
InChIInChI=1S/C8H17N3O2/c1-10-2-4-11(5-3-10)6-7(9)8(12)13/h7H,2-6,9H2,1H3,(H,12,13)
InChIKeyYTZAZAOTIZYCKH-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.35
Rot. Bonds3

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

2-amino-3-(4-methylpiperazin-1-yl)propanoic acid (PubChem CID 10611336) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-amino-3-(4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
PubChem CID10611336
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CC(N)C(=O)O)CC1
InChIInChI=1S/C8H17N3O2/c1-10-2-4-11(5-3-10)6-7(9)8(12)13/h7H,2-6,9H2,1H3,(H,12,13)
InChIKeyYTZAZAOTIZYCKH-UHFFFAOYSA-N
XLogP-1.35
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid
CID 65442051
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
(2R)-2-amino-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propanoic acid
CID 82891712
(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
CID 138475703
2-amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945316
(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 177277413
3,3,3-trifluoro-2-[(4-methylpiperazin-1-yl)methyl]propanoic acid
CID 80995891
2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid
CID 67154957
4-amino-5-(4-methylpiperazin-1-yl)pentanamide
CID 58079559
(2S)-2-amino-3-[carboxy-(4-methylpiperazin-1-yl)amino]propanoic acid
CID 174812533

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-methylpiperazin-1-yl)propanoic acid (CID 10611336) is 2-amino-3-(4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-methylpiperazin-1-yl)propanoic acid is CN1CCN(CC(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-3-(4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is YTZAZAOTIZYCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-2-4-11(5-3-10)6-7(9)8(12)13/h7H,2-6,9H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-(4-methylpiperazin-1-yl)propanoic acid?
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 187.24 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 10611336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).