3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid

C14H25N3O4 — CID 10470027

IUPAC3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CNC(=O)CCCC1CCNCC1
InChIInChI=1S/C14H25N3O4/c18-12(3-1-2-11-4-7-15-8-5-11)17-10-13(19)16-9-6-14(20)21/h11,15H,1-10H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyGSZWBNFDQUBVJY-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.14
Rot. Bonds9

About 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid

3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid (PubChem CID 10470027) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid
PubChem CID10470027
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)CNC(=O)CCCC1CCNCC1
InChIInChI=1S/C14H25N3O4/c18-12(3-1-2-11-4-7-15-8-5-11)17-10-13(19)16-9-6-14(20)21/h11,15H,1-10H2,(H,16,19)(H,17,18)(H,20,21)
InChIKeyGSZWBNFDQUBVJY-UHFFFAOYSA-N
XLogP-0.14
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid with MolForge

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Related Compounds

3-{[1-(6-Amino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 9904909
3-[[2-[(3R)-2-oxo-3-(2-piperidin-4-ylethyl)piperidin-1-yl]acetyl]amino]propanoic acid
CID 9927867
3-{[1-((R)-2-Acetylamino-6-amino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 9999236
3-{[1-((S)-2-Acetylamino-6-amino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 10317079
3-{[1-((S)-2,6-Diamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 10381857
3-{[1-(6-Amino-hexanoyl)-piperidin-3-ylmethyl]-amino}-propionic acid
CID 9994930
3-[[2-[(3S)-2-oxo-3-(2-piperidin-4-ylethyl)piperidin-1-yl]acetyl]amino]propanoic acid
CID 10382578
3-{[1-((R)-2,6-Diamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 10426654
3-[[1-(2-Acetamido-6-aminohexanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 9976431
3-[[2-[2-Oxo-3-(2-piperidin-4-ylethyl)piperidin-1-yl]acetyl]amino]propanoic acid
CID 9927868
3-({1-[(S)-2-((R)-3-Cyclohexyl-butyrylamino)-3-methyl-butyryl]-piperidine-2-carbonyl}-amino)-propionic acid
CID 44300645
4,4,4-Trifluoro-3-[[2-[4-piperidin-4-ylbutanoyl(propyl)amino]acetyl]amino]butanoic acid
CID 141797203

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid (CID 10470027) is 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)CNC(=O)CCCC1CCNCC1.
What is the InChIKey of 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid?
The InChIKey is GSZWBNFDQUBVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c18-12(3-1-2-11-4-7-15-8-5-11)17-10-13(19)16-9-6-14(20)21/h11,15H,1-10H2,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid?
3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of -0.14, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 10470027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).