2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid

C13H23N3O5 — CID 106239137

IUPAC2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESNC(=O)CCCCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H23N3O5/c14-11(17)3-1-2-6-15-13(20)16-7-4-10(5-8-16)21-9-12(18)19/h10H,1-9H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyLCWCNTKTNAFOCP-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.08
Rot. Bonds8

About 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 106239137) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID106239137
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESNC(=O)CCCCNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H23N3O5/c14-11(17)3-1-2-6-15-13(20)16-7-4-10(5-8-16)21-9-12(18)19/h10H,1-9H2,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyLCWCNTKTNAFOCP-UHFFFAOYSA-N
XLogP-0.08
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(pent-4-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 114264997
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877488
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875769
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid (CID 106239137) is 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid is NC(=O)CCCCNC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is LCWCNTKTNAFOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c14-11(17)3-1-2-6-15-13(20)16-7-4-10(5-8-16)21-9-12(18)19/h10H,1-9H2,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 106239137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).