1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid

C10H19NO3 — CID 106822706

IUPAC1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid
SMILESCCC(C)NC1(C(=O)O)CC(OC)C1
InChIInChI=1S/C10H19NO3/c1-4-7(2)11-10(9(12)13)5-8(6-10)14-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyGHWFAMQPMSNLFG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds5

About 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid

1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid (PubChem CID 106822706) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid
PubChem CID106822706
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid
SMILESCCC(C)NC1(C(=O)O)CC(OC)C1
InChIInChI=1S/C10H19NO3/c1-4-7(2)11-10(9(12)13)5-8(6-10)14-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyGHWFAMQPMSNLFG-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid (CID 106822706) is 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid is CCC(C)NC1(C(=O)O)CC(OC)C1.
What is the InChIKey of 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid?
The InChIKey is GHWFAMQPMSNLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-7(2)11-10(9(12)13)5-8(6-10)14-3/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid?
1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 106822706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).