1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid

C10H15NO4 — CID 65452828

IUPAC1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)C1CCOCC1
InChIInChI=1S/C10H15NO4/c12-8(7-1-5-15-6-2-7)11-10(3-4-10)9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyFYBNZEKTLVAZLD-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.15
Rot. Bonds3

About 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid

1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid (PubChem CID 65452828) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid
PubChem CID65452828
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)C1CCOCC1
InChIInChI=1S/C10H15NO4/c12-8(7-1-5-15-6-2-7)11-10(3-4-10)9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyFYBNZEKTLVAZLD-UHFFFAOYSA-N
XLogP0.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
4-[(3-aminocyclopentanecarbonyl)amino]oxane-4-carboxylic acid
CID 113280324
4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid
CID 115292352
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
1-(thiane-4-carbonylamino)cycloheptane-1-carboxylic acid
CID 120538857
4-[(5-methyloxolane-2-carbonyl)amino]oxane-4-carboxylic acid
CID 113280119
1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114240909
4-[(2-methylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 113280297
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
1-(morpholine-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65451097
1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43169412

Frequently Asked Questions

What is the IUPAC name of 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid (CID 65452828) is 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)C1CCOCC1.
What is the InChIKey of 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid?
The InChIKey is FYBNZEKTLVAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-8(7-1-5-15-6-2-7)11-10(3-4-10)9(13)14/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid?
1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65452828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).