4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid

C12H23N3O4 — CID 43592289

IUPAC4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H23N3O4/c1-13(4-2-3-11(17)18)12(19)15-7-5-14(6-8-15)9-10-16/h16H,2-10H2,1H3,(H,17,18)
InChIKeyCSDGBTBAVVTYPR-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.49
Rot. Bonds6

About 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid

4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid (PubChem CID 43592289) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
PubChem CID43592289
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H23N3O4/c1-13(4-2-3-11(17)18)12(19)15-7-5-14(6-8-15)9-10-16/h16H,2-10H2,1H3,(H,17,18)
InChIKeyCSDGBTBAVVTYPR-UHFFFAOYSA-N
XLogP-0.49
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61428532
4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43373246
4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 78942634
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 61201269
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
2-[tert-butyl-[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]acetic acid
CID 79257419
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189767
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61188093

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid (CID 43592289) is 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid?
The InChIKey is CSDGBTBAVVTYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-13(4-2-3-11(17)18)12(19)15-7-5-14(6-8-15)9-10-16/h16H,2-10H2,1H3,(H,17,18).
What are the key properties of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid?
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid is sourced from PubChem (CID 43592289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).