2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid

C16H28N2O3 — CID 122041392

IUPAC2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
SMILESCC1CC(NC2CC(N(CC(=O)O)CC3CC3)C2)C(C)O1
InChIInChI=1S/C16H28N2O3/c1-10-5-15(11(2)21-10)17-13-6-14(7-13)18(9-16(19)20)8-12-3-4-12/h10-15,17H,3-9H2,1-2H3,(H,19,20)
InChIKeyYUYRJRUGSQWWTD-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.47
Rot. Bonds7

About 2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122041392) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
PubChem CID122041392
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
SMILESCC1CC(NC2CC(N(CC(=O)O)CC3CC3)C2)C(C)O1
InChIInChI=1S/C16H28N2O3/c1-10-5-15(11(2)21-10)17-13-6-14(7-13)18(9-16(19)20)8-12-3-4-12/h10-15,17H,3-9H2,1-2H3,(H,19,20)
InChIKeyYUYRJRUGSQWWTD-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042160
2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid
CID 122041478
2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071742
2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041865
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopropylmethyl-[3-[(4-propan-2-ylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041857
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid
CID 122041866
2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid
CID 65054609
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603
2-[cyclopropylmethyl-[3-(thian-3-ylamino)cyclobutyl]amino]acetic acid
CID 122041864
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-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid (CID 122041392) is 2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid is CC1CC(NC2CC(N(CC(=O)O)CC3CC3)C2)C(C)O1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is YUYRJRUGSQWWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10-5-15(11(2)21-10)17-13-6-14(7-13)18(9-16(19)20)8-12-3-4-12/h10-15,17H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).