2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid

C12H23N3O4 — CID 61201269

IUPAC2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H23N3O4/c1-10(2)15(9-11(17)18)12(19)14-5-3-13(4-6-14)7-8-16/h10,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyXPICIGZWBBRQFR-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.49
Rot. Bonds5

About 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid

2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 61201269) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID61201269
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H23N3O4/c1-10(2)15(9-11(17)18)12(19)14-5-3-13(4-6-14)7-8-16/h10,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyXPICIGZWBBRQFR-UHFFFAOYSA-N
XLogP-0.49
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]acetic acid
CID 107223921
2-[tert-butyl-[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]acetic acid
CID 79257419
2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 62775745
2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid
CID 62776812
2-[1,4-diazepane-1-carbonyl(propan-2-yl)amino]acetic acid
CID 61402822
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
CID 43592289
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 78942634
2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
CID 114411684
2-[propan-2-yl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 62992655
2-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 107223969

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid (CID 61201269) is 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is XPICIGZWBBRQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-10(2)15(9-11(17)18)12(19)14-5-3-13(4-6-14)7-8-16/h10,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid?
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61201269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).