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

C10H17NO4 — CID 106822748

IUPAC1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
SMILESCCCN(C=O)C1(C(=O)O)CC(OC)C1
InChIInChI=1S/C10H17NO4/c1-3-4-11(7-12)10(9(13)14)5-8(6-10)15-2/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyUWSITCUIRHCVEY-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds6

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

1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid (PubChem CID 106822748) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
PubChem CID106822748
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
SMILESCCCN(C=O)C1(C(=O)O)CC(OC)C1
InChIInChI=1S/C10H17NO4/c1-3-4-11(7-12)10(9(13)14)5-8(6-10)15-2/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyUWSITCUIRHCVEY-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid
CID 103439535
1-[acetyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
CID 106822734
1-ethyl-4-[formyl(propyl)amino]azepane-4-carboxylic acid
CID 65076167
1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid
CID 106822740
1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513811
1-[ethyl(formyl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085716
1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid
CID 106822706
1-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873175
1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid
CID 63688884
2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
CID 106824095
2-[ethyl(formyl)amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 55231808
1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873019

Frequently Asked Questions

What is the IUPAC name of 1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid (CID 106822748) is 1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid is CCCN(C=O)C1(C(=O)O)CC(OC)C1.
What is the InChIKey of 1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The InChIKey is UWSITCUIRHCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-4-11(7-12)10(9(13)14)5-8(6-10)15-2/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 106822748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).