2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 81169447

IUPAC2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESNCC1(CC(=O)NCC2CCCC2C(=O)O)CCC1
InChIInChI=1S/C14H24N2O3/c15-9-14(5-2-6-14)7-12(17)16-8-10-3-1-4-11(10)13(18)19/h10-11H,1-9,15H2,(H,16,17)(H,18,19)
InChIKeyOBKKMNJOWYLITQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.12
Rot. Bonds6

About 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid

2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81169447) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81169447
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESNCC1(CC(=O)NCC2CCCC2C(=O)O)CCC1
InChIInChI=1S/C14H24N2O3/c15-9-14(5-2-6-14)7-12(17)16-8-10-3-1-4-11(10)13(18)19/h10-11H,1-9,15H2,(H,16,17)(H,18,19)
InChIKeyOBKKMNJOWYLITQ-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 81169138
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
CID 81171912
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
trans-(1S,2R)-2-[(3-chloropropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108755885
2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114101428
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
trans-(1S,2R)-2-[[(2-cyanoacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755758
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83114129
2-[1-(aminomethyl)cyclobutyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 81179908

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 81169447) is 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid is NCC1(CC(=O)NCC2CCCC2C(=O)O)CCC1.
What is the InChIKey of 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is OBKKMNJOWYLITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-9-14(5-2-6-14)7-12(17)16-8-10-3-1-4-11(10)13(18)19/h10-11H,1-9,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81169447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).