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

C12H21NO4 — CID 103555539

IUPAC2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid
SMILESCOC1(CC(=O)N(CC(=O)O)C(C)C)CCC1
InChIInChI=1S/C12H21NO4/c1-9(2)13(8-11(15)16)10(14)7-12(17-3)5-4-6-12/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyQMZXPJLVQYPAPZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds6

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

2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 103555539) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid
PubChem CID103555539
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid
SMILESCOC1(CC(=O)N(CC(=O)O)C(C)C)CCC1
InChIInChI=1S/C12H21NO4/c1-9(2)13(8-11(15)16)10(14)7-12(17-3)5-4-6-12/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyQMZXPJLVQYPAPZ-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid (CID 103555539) is 2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid is COC1(CC(=O)N(CC(=O)O)C(C)C)CCC1.
What is the InChIKey of 2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is QMZXPJLVQYPAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(2)13(8-11(15)16)10(14)7-12(17-3)5-4-6-12/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 103555539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).