2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid

C16H28N2O3 — CID 115444228

IUPAC2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
SMILESNCC1(C(=O)N2CCC(CC(=O)O)CC2)CCCCCC1
InChIInChI=1S/C16H28N2O3/c17-12-16(7-3-1-2-4-8-16)15(21)18-9-5-13(6-10-18)11-14(19)20/h13H,1-12,17H2,(H,19,20)
InChIKeyXAOULQVQLFGUOA-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.00
Rot. Bonds4

About 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid

2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid (PubChem CID 115444228) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
PubChem CID115444228
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
SMILESNCC1(C(=O)N2CCC(CC(=O)O)CC2)CCCCCC1
InChIInChI=1S/C16H28N2O3/c17-12-16(7-3-1-2-4-8-16)15(21)18-9-5-13(6-10-18)11-14(19)20/h13H,1-12,17H2,(H,19,20)
InChIKeyXAOULQVQLFGUOA-UHFFFAOYSA-N
XLogP2.00
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]propanoic acid
CID 115435232
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068
[1-(aminomethyl)cyclopentyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63973299
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895786
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid
CID 115448478
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
2-[4-[1-(aminomethyl)cyclopentanecarbonyl]-1,4-diazepan-1-yl]acetic acid
CID 115435248
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid (CID 115444228) is 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid is NCC1(C(=O)N2CCC(CC(=O)O)CC2)CCCCCC1.
What is the InChIKey of 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is XAOULQVQLFGUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c17-12-16(7-3-1-2-4-8-16)15(21)18-9-5-13(6-10-18)11-14(19)20/h13H,1-12,17H2,(H,19,20).
What are the key properties of 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid?
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 115444228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).