3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid

C13H21NO4 — CID 103555533

IUPAC3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid
SMILESCOC1(CC(=O)N(CCC(=O)O)C2CC2)CCC1
InChIInChI=1S/C13H21NO4/c1-18-13(6-2-7-13)9-11(15)14(10-3-4-10)8-5-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyYIFRFDMSCOLMTD-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.41
Rot. Bonds7

About 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid

3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid (PubChem CID 103555533) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid
PubChem CID103555533
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid
SMILESCOC1(CC(=O)N(CCC(=O)O)C2CC2)CCC1
InChIInChI=1S/C13H21NO4/c1-18-13(6-2-7-13)9-11(15)14(10-3-4-10)8-5-12(16)17/h10H,2-9H2,1H3,(H,16,17)
InChIKeyYIFRFDMSCOLMTD-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid (CID 103555533) is 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid is COC1(CC(=O)N(CCC(=O)O)C2CC2)CCC1.
What is the InChIKey of 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid?
The InChIKey is YIFRFDMSCOLMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-18-13(6-2-7-13)9-11(15)14(10-3-4-10)8-5-12(16)17/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid?
3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid has a molecular weight of 255.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 103555533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).