4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid

C14H24N2O5 — CID 122021590

IUPAC4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCCOC(=O)CC1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-2-21-13(19)10-11-5-8-16(9-6-11)14(20)15-7-3-4-12(17)18/h11H,2-10H2,1H3,(H,15,20)(H,17,18)
InChIKeyBTIJUBFUGOSYPN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.23
Rot. Bonds7

About 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid

4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 122021590) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID122021590
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCCOC(=O)CC1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-2-21-13(19)10-11-5-8-16(9-6-11)14(20)15-7-3-4-12(17)18/h11H,2-10H2,1H3,(H,15,20)(H,17,18)
InChIKeyBTIJUBFUGOSYPN-UHFFFAOYSA-N
XLogP1.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022214
2-[4-[(4-ethoxy-4-oxobutyl)carbamoyl]piperazin-1-yl]acetic acid
CID 64575856
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
2-[1-(3-methoxypropylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608847
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
CID 106005309
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid (CID 122021590) is 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid is CCOC(=O)CC1CCN(C(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is BTIJUBFUGOSYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-2-21-13(19)10-11-5-8-16(9-6-11)14(20)15-7-3-4-12(17)18/h11H,2-10H2,1H3,(H,15,20)(H,17,18).
What are the key properties of 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid?
4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122021590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).