4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid

C14H24N2O5 — CID 62027456

IUPAC4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid
SMILESCCOC(=O)C1CCN(CC(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-2-21-14(20)11-5-8-16(9-6-11)10-12(17)15-7-3-4-13(18)19/h11H,2-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyPAJMFUDXXCUDPY-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.24
Rot. Bonds8

About 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid

4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 62027456) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid
PubChem CID62027456
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid
SMILESCCOC(=O)C1CCN(CC(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-2-21-14(20)11-5-8-16(9-6-11)10-12(17)15-7-3-4-13(18)19/h11H,2-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyPAJMFUDXXCUDPY-UHFFFAOYSA-N
XLogP0.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 34681202
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 27152328
6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 79327645
ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60673370
3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
CID 63904959
ethyl 4-[[2-[3-(1-aminoethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 103976239
6-[[2-[4,7,10-tris[2-(5-carboxypentylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoic acid
CID 122205584
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid (CID 62027456) is 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid is CCOC(=O)C1CCN(CC(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is PAJMFUDXXCUDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-2-21-14(20)11-5-8-16(9-6-11)10-12(17)15-7-3-4-13(18)19/h11H,2-10H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid?
4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 62027456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).