2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid

C15H26N2O3 — CID 122041866

IUPAC2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC2CCCOC2)C1
InChIInChI=1S/C15H26N2O3/c18-15(19)9-17(8-11-3-4-11)14-6-13(7-14)16-12-2-1-5-20-10-12/h11-14,16H,1-10H2,(H,18,19)
InChIKeyJYESGCQIKPGUKD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.08
Rot. Bonds7

About 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid (PubChem CID 122041866) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid
PubChem CID122041866
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC2CCCOC2)C1
InChIInChI=1S/C15H26N2O3/c18-15(19)9-17(8-11-3-4-11)14-6-13(7-14)16-12-2-1-5-20-10-12/h11-14,16H,1-10H2,(H,18,19)
InChIKeyJYESGCQIKPGUKD-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[3-(thian-3-ylamino)cyclobutyl]amino]acetic acid
CID 122041864
2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041865
2-[cyclopropylmethyl-[3-[(4-propan-2-ylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041857
2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
CID 122041392
2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid
CID 122041478
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[cyclopropylmethyl-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]cyclobutyl]amino]acetic acid
CID 129342654
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071742
2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
CID 122071838

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid (CID 122041866) is 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC2CCCOC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid?
The InChIKey is JYESGCQIKPGUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-15(19)9-17(8-11-3-4-11)14-6-13(7-14)16-12-2-1-5-20-10-12/h11-14,16H,1-10H2,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).