4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid

C14H25NO4 — CID 103555540

IUPAC4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCOC1(CC(=O)N(CCCC(=O)O)C(C)C)CCC1
InChIInChI=1S/C14H25NO4/c1-11(2)15(9-4-6-13(17)18)12(16)10-14(19-3)7-5-8-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyXNKVEFZFPYPIRG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.05
Rot. Bonds8

About 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid

4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid (PubChem CID 103555540) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid
PubChem CID103555540
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCOC1(CC(=O)N(CCCC(=O)O)C(C)C)CCC1
InChIInChI=1S/C14H25NO4/c1-11(2)15(9-4-6-13(17)18)12(16)10-14(19-3)7-5-8-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyXNKVEFZFPYPIRG-UHFFFAOYSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid (CID 103555540) is 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid is COC1(CC(=O)N(CCCC(=O)O)C(C)C)CCC1.
What is the InChIKey of 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid?
The InChIKey is XNKVEFZFPYPIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11(2)15(9-4-6-13(17)18)12(16)10-14(19-3)7-5-8-14/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid?
4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 103555540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).