2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid

C14H24N2O4 — CID 79849178

IUPAC2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
SMILESCC(C)(C)C(=O)NCCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H24N2O4/c1-13(2,3)12(20)15-8-5-10(17)16-14(6-4-7-14)9-11(18)19/h4-9H2,1-3H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyWKXPKXYPBVHTMN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.05
Rot. Bonds6

About 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid

2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid (PubChem CID 79849178) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
PubChem CID79849178
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
SMILESCC(C)(C)C(=O)NCCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H24N2O4/c1-13(2,3)12(20)15-8-5-10(17)16-14(6-4-7-14)9-11(18)19/h4-9H2,1-3H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyWKXPKXYPBVHTMN-UHFFFAOYSA-N
XLogP1.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid
CID 79845909
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentyl]acetic acid
CID 64671418
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 64686097
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
3-acetamido-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 115878572
2-[1-(3-ethylsulfanylpropanoylamino)cyclobutyl]acetic acid
CID 115730896
2-[1-[(2-methoxy-2-methylpropanoyl)amino]cyclobutyl]acetic acid
CID 103018992

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid (CID 79849178) is 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid is CC(C)(C)C(=O)NCCC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid?
The InChIKey is WKXPKXYPBVHTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)12(20)15-8-5-10(17)16-14(6-4-7-14)9-11(18)19/h4-9H2,1-3H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid?
2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79849178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).