3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride

C11H22ClN3O3 — CID 56802011

IUPAC3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
SMILESCN(C)CC(=O)N1CCN(CCC(=O)O)CC1.Cl
InChIInChI=1S/C11H21N3O3.ClH/c1-12(2)9-10(15)14-7-5-13(6-8-14)4-3-11(16)17;/h3-9H2,1-2H3,(H,16,17);1H
InChIKeyUNFCTRNQLNMGKF-UHFFFAOYSA-N
MW279.77 g/mol
LogP-0.41
Rot. Bonds5

About 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride

3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride (PubChem CID 56802011) has the molecular formula C11H22ClN3O3 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
PubChem CID56802011
Molecular FormulaC11H22ClN3O3
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
SMILESCN(C)CC(=O)N1CCN(CCC(=O)O)CC1.Cl
InChIInChI=1S/C11H21N3O3.ClH/c1-12(2)9-10(15)14-7-5-13(6-8-14)4-3-11(16)17;/h3-9H2,1-2H3,(H,16,17);1H
InChIKeyUNFCTRNQLNMGKF-UHFFFAOYSA-N
XLogP-0.41
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 138985460
3-(4-but-3-enoylpiperazin-1-yl)propanoic acid
CID 62683475
3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid
CID 112602028
3-[4-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 61192445
3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
CID 61196920
3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid
CID 79473010
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61428532
3-[4-(2,2-dimethylcyclopropanecarbonyl)piperazin-1-yl]propanoic acid
CID 107000340
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61189432

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride (CID 56802011) is 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride is CN(C)CC(=O)N1CCN(CCC(=O)O)CC1.Cl.
What is the InChIKey of 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride?
The InChIKey is UNFCTRNQLNMGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3.ClH/c1-12(2)9-10(15)14-7-5-13(6-8-14)4-3-11(16)17;/h3-9H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride?
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 56802011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).