2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid

C13H23N3O3 — CID 81162804

IUPAC2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESNC1CCN(C(=O)NCC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C13H23N3O3/c14-10-2-6-16(7-3-10)12(19)15-9-13(4-1-5-13)8-11(17)18/h10H,1-9,14H2,(H,15,19)(H,17,18)
InChIKeyNDTVBIMPGFIOME-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.76
Rot. Bonds4

About 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81162804) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81162804
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESNC1CCN(C(=O)NCC2(CC(=O)O)CCC2)CC1
InChIInChI=1S/C13H23N3O3/c14-10-2-6-16(7-3-10)12(19)15-9-13(4-1-5-13)8-11(17)18/h10H,1-9,14H2,(H,15,19)(H,17,18)
InChIKeyNDTVBIMPGFIOME-UHFFFAOYSA-N
XLogP0.76
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81156098
2-[1-[[(3-carbamoylpiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81148975
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451319
2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103536134
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81155971
2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81155963
2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161942
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209
2-[1-[[(3-oxo-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162781
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 81162804) is 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid is NC1CCN(C(=O)NCC2(CC(=O)O)CCC2)CC1.
What is the InChIKey of 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is NDTVBIMPGFIOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c14-10-2-6-16(7-3-10)12(19)15-9-13(4-1-5-13)8-11(17)18/h10H,1-9,14H2,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).