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

C16H28N2O2 — CID 122041478

IUPAC2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid
SMILESCCC1CCC1NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-12-5-6-15(12)17-13-7-14(8-13)18(10-16(19)20)9-11-3-4-11/h11-15,17H,2-10H2,1H3,(H,19,20)
InChIKeyWVHRSVYKBWQMES-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.09
Rot. Bonds8

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

2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122041478) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid
PubChem CID122041478
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid
SMILESCCC1CCC1NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-12-5-6-15(12)17-13-7-14(8-13)18(10-16(19)20)9-11-3-4-11/h11-15,17H,2-10H2,1H3,(H,19,20)
InChIKeyWVHRSVYKBWQMES-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
CID 122041392
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-ethylcyclopentyl)amino]acetic acid
CID 65055054
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603
2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid
CID 122041866
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
2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
CID 106824276
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid (CID 122041478) is 2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid is CCC1CCC1NC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is WVHRSVYKBWQMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-12-5-6-15(12)17-13-7-14(8-13)18(10-16(19)20)9-11-3-4-11/h11-15,17H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 280.41 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).