6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid

C13H24N2O3 — CID 79853883

IUPAC6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)CC1(N)CCC1)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(3-4-12(17)18)5-8-15-11(16)9-13(14)6-2-7-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyAECIRNVXWGBOTE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.27
Rot. Bonds8

About 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid

6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid (PubChem CID 79853883) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid
PubChem CID79853883
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)CC1(N)CCC1)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(3-4-12(17)18)5-8-15-11(16)9-13(14)6-2-7-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyAECIRNVXWGBOTE-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid?
The IUPAC name of 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid (CID 79853883) is 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid is CC(CCNC(=O)CC1(N)CCC1)CCC(=O)O.
What is the InChIKey of 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid?
The InChIKey is AECIRNVXWGBOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(3-4-12(17)18)5-8-15-11(16)9-13(14)6-2-7-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid?
6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid is sourced from PubChem (CID 79853883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).