1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid

C11H19NO4 — CID 106822734

IUPAC1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
SMILESCCCN(C(C)=O)C1(C(=O)O)CC(OC)C1
InChIInChI=1S/C11H19NO4/c1-4-5-12(8(2)13)11(10(14)15)6-9(7-11)16-3/h9H,4-7H2,1-3H3,(H,14,15)
InChIKeyPEGFVKRHBSIONG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

About 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid

1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid (PubChem CID 106822734) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
PubChem CID106822734
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
SMILESCCCN(C(C)=O)C1(C(=O)O)CC(OC)C1
InChIInChI=1S/C11H19NO4/c1-4-5-12(8(2)13)11(10(14)15)6-9(7-11)16-3/h9H,4-7H2,1-3H3,(H,14,15)
InChIKeyPEGFVKRHBSIONG-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
CID 106822748
1-[acetyl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63704010
1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid
CID 106822740
3-[acetyl(propyl)amino]thiolane-3-carboxylic acid
CID 63704006
4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid
CID 65075816
1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873175
1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid
CID 106822706
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
1-[acetyl(ethyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513352
1-[methyl(propyl)amino]cyclooctane-1-carboxylic acid
CID 82238465
4-[acetyl(propyl)amino]-3-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 104524518
2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
CID 106824095

Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid (CID 106822734) is 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid is CCCN(C(C)=O)C1(C(=O)O)CC(OC)C1.
What is the InChIKey of 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The InChIKey is PEGFVKRHBSIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-5-12(8(2)13)11(10(14)15)6-9(7-11)16-3/h9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 106822734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).