2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid

C13H25N3O3 — CID 106813711

IUPAC2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
SMILESCCCCNC(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-2-3-6-15-13(19)16-7-4-5-11(10-16)8-14-9-12(17)18/h11,14H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyFZSRNYUTESONTK-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.88
Rot. Bonds7

About 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813711) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813711
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
SMILESCCCCNC(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-2-3-6-15-13(19)16-7-4-5-11(10-16)8-14-9-12(17)18/h11,14H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyFZSRNYUTESONTK-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
CID 63766173
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]acetic acid
CID 63958153
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
2-[1-(4,4,4-trifluorobutylcarbamoyl)piperidin-3-yl]acetic acid
CID 115521318
2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
CID 64617301
2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
CID 107181189
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 83113670
(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
CID 143486954
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813626

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid (CID 106813711) is 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid is CCCCNC(=O)N1CCCC(CNCC(=O)O)C1.
What is the InChIKey of 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is FZSRNYUTESONTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-2-3-6-15-13(19)16-7-4-5-11(10-16)8-14-9-12(17)18/h11,14H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).