[butanoyl(formyl)amino] hydrogen carbonate

C6H9NO5 — CID 123497102

IUPAC[butanoyl(formyl)amino] hydrogen carbonate
SMILESCCCC(=O)N(C=O)OC(=O)O
InChIInChI=1S/C6H9NO5/c1-2-3-5(9)7(4-8)12-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyXNQOMLPPRVHMGO-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.38
Rot. Bonds3

About [butanoyl(formyl)amino] hydrogen carbonate

[butanoyl(formyl)amino] hydrogen carbonate (PubChem CID 123497102) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is [butanoyl(formyl)amino] hydrogen carbonate.

Molecular Properties

Compound Name[butanoyl(formyl)amino] hydrogen carbonate
PubChem CID123497102
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name[butanoyl(formyl)amino] hydrogen carbonate
SMILESCCCC(=O)N(C=O)OC(=O)O
InChIInChI=1S/C6H9NO5/c1-2-3-5(9)7(4-8)12-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyXNQOMLPPRVHMGO-UHFFFAOYSA-N
XLogP0.38
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[butanoyl(formyl)amino] 2-aminoacetate
CID 142359847
N-formyl-N-methoxybutanamide
CID 89360816
[butanoyl(formyl)amino] heptanoate
CID 142601688
[butanoyl(formyl)amino] 2-acetylsulfanylacetate
CID 142170109
[butanoyl(formyl)amino] 4-(methylamino)butanoate
CID 155461543
[butanoyl(formyl)amino] 5-methylhexanoate
CID 170597603
[butanoyl(formyl)amino] 7-aminoheptanoate
CID 155691855
[butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate
CID 129310243
1-O-[butanoyl(formyl)amino] 3-O-(2,5-dioxopyrrolidin-1-yl) cyclobutane-1,3-dicarboxylate
CID 146640529
[butanoyl(formyl)amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 88963780
[butanoyl(formyl)amino] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 167044233
N-formyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]butanamide
CID 171814358

Frequently Asked Questions

What is the IUPAC name of [butanoyl(formyl)amino] hydrogen carbonate?
The IUPAC name of [butanoyl(formyl)amino] hydrogen carbonate (CID 123497102) is [butanoyl(formyl)amino] hydrogen carbonate.
What is the SMILES notation for [butanoyl(formyl)amino] hydrogen carbonate?
The canonical SMILES for [butanoyl(formyl)amino] hydrogen carbonate is CCCC(=O)N(C=O)OC(=O)O.
What is the InChIKey of [butanoyl(formyl)amino] hydrogen carbonate?
The InChIKey is XNQOMLPPRVHMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c1-2-3-5(9)7(4-8)12-6(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of [butanoyl(formyl)amino] hydrogen carbonate?
[butanoyl(formyl)amino] hydrogen carbonate has a molecular weight of 175.14 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyl(formyl)amino] hydrogen carbonate is sourced from PubChem (CID 123497102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).