2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid

C14H24N2O3 — CID 81168920

IUPAC2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid
SMILESNCC1(CC(=O)NC2(CC(=O)O)CCCC2)CCC1
InChIInChI=1S/C14H24N2O3/c15-10-13(4-3-5-13)8-11(17)16-14(9-12(18)19)6-1-2-7-14/h1-10,15H2,(H,16,17)(H,18,19)
InChIKeyKNKJTYIONGRHAL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.41
Rot. Bonds6

About 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid

2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid (PubChem CID 81168920) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid
PubChem CID81168920
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid
SMILESNCC1(CC(=O)NC2(CC(=O)O)CCCC2)CCC1
InChIInChI=1S/C14H24N2O3/c15-10-13(4-3-5-13)8-11(17)16-14(9-12(18)19)6-1-2-7-14/h1-10,15H2,(H,16,17)(H,18,19)
InChIKeyKNKJTYIONGRHAL-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid
CID 64685700
2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
CID 81171912
2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79846049
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[1-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclobutyl]acetic acid
CID 103555716
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid (CID 81168920) is 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid is NCC1(CC(=O)NC2(CC(=O)O)CCCC2)CCC1.
What is the InChIKey of 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid?
The InChIKey is KNKJTYIONGRHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-10-13(4-3-5-13)8-11(17)16-14(9-12(18)19)6-1-2-7-14/h1-10,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 81168920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).