2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid

C10H18N2O3 — CID 81161274

IUPAC2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
SMILESNCCC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C10H18N2O3/c11-5-2-8(13)12-7-10(3-1-4-10)6-9(14)15/h1-7,11H2,(H,12,13)(H,14,15)
InChIKeyOLIJHRYMBJNDKP-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.10
Rot. Bonds6

About 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid

2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81161274) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
PubChem CID81161274
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
SMILESNCCC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C10H18N2O3/c11-5-2-8(13)12-7-10(3-1-4-10)6-9(14)15/h1-7,11H2,(H,12,13)(H,14,15)
InChIKeyOLIJHRYMBJNDKP-UHFFFAOYSA-N
XLogP0.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81162248
2-[1-[[(4-amino-4-methylpentanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81161804
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
2-[1-[(3-propoxypropanoylamino)methyl]cyclobutyl]acetic acid
CID 81164500
2-[1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341622
2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290
2-[1-[[3-(3-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341623
2-[1-[(4-cyclohexylbutanoylamino)methyl]cyclobutyl]acetic acid
CID 81164040
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid (CID 81161274) is 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid is NCCC(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is OLIJHRYMBJNDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-5-2-8(13)12-7-10(3-1-4-10)6-9(14)15/h1-7,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).