3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid

C15H22N4O4 — CID 122018993

IUPAC3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESCCOc1cccc(N2CCN(C(=O)NCCC(=O)O)CC2)n1
InChIInChI=1S/C15H22N4O4/c1-2-23-13-5-3-4-12(17-13)18-8-10-19(11-9-18)15(22)16-7-6-14(20)21/h3-5H,2,6-11H2,1H3,(H,16,22)(H,20,21)
InChIKeyKBXNBPKEFKOSHN-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.79
Rot. Bonds6

About 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid

3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid (PubChem CID 122018993) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid
PubChem CID122018993
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESCCOc1cccc(N2CCN(C(=O)NCCC(=O)O)CC2)n1
InChIInChI=1S/C15H22N4O4/c1-2-23-13-5-3-4-12(17-13)18-8-10-19(11-9-18)15(22)16-7-6-14(20)21/h3-5H,2,6-11H2,1H3,(H,16,22)(H,20,21)
InChIKeyKBXNBPKEFKOSHN-UHFFFAOYSA-N
XLogP0.79
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017762
2-chloro-1-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 146085937
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
4-[[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepane-1-carbonyl]amino]butanoic acid
CID 122022127
2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814350
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 154738087
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
3-[[4-(2,6-dichlorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017871
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone
CID 154740610
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid (CID 122018993) is 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid is CCOc1cccc(N2CCN(C(=O)NCCC(=O)O)CC2)n1.
What is the InChIKey of 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid?
The InChIKey is KBXNBPKEFKOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-2-23-13-5-3-4-12(17-13)18-8-10-19(11-9-18)15(22)16-7-6-14(20)21/h3-5H,2,6-11H2,1H3,(H,16,22)(H,20,21).
What are the key properties of 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid?
3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid has a molecular weight of 322.37 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122018993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).