[butanoyl(formyl)amino] 2-aminoacetate

C7H12N2O4 — CID 142359847

IUPAC[butanoyl(formyl)amino] 2-aminoacetate
SMILESCCCC(=O)N(C=O)OC(=O)CN
InChIInChI=1S/C7H12N2O4/c1-2-3-6(11)9(5-10)13-7(12)4-8/h5H,2-4,8H2,1H3
InChIKeyBPFOVTWMWXCISH-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.81
Rot. Bonds4

About [butanoyl(formyl)amino] 2-aminoacetate

[butanoyl(formyl)amino] 2-aminoacetate (PubChem CID 142359847) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is [butanoyl(formyl)amino] 2-aminoacetate.

Molecular Properties

Compound Name[butanoyl(formyl)amino] 2-aminoacetate
PubChem CID142359847
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name[butanoyl(formyl)amino] 2-aminoacetate
SMILESCCCC(=O)N(C=O)OC(=O)CN
InChIInChI=1S/C7H12N2O4/c1-2-3-6(11)9(5-10)13-7(12)4-8/h5H,2-4,8H2,1H3
InChIKeyBPFOVTWMWXCISH-UHFFFAOYSA-N
XLogP-0.81
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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] 7-aminoheptanoate
CID 155691855
[butanoyl(formyl)amino] hydrogen carbonate
CID 123497102
[butanoyl(formyl)amino] heptanoate
CID 142601688
[butanoyl(formyl)amino] 2-acetylsulfanylacetate
CID 142170109
[butanoyl(formyl)amino] 5-methylhexanoate
CID 170597603
[butanoyl(formyl)amino] 4-(methylamino)butanoate
CID 155461543
N-formyl-N-methoxybutanamide
CID 89360816
[butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate
CID 129310243
[butanoyl(formyl)amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 88963780
ethyl butanoate;formic acid
CID 160963123
ethyl 2-aminoacetate
CID 45039361
1-O-[butanoyl(formyl)amino] 3-O-(2,5-dioxopyrrolidin-1-yl) cyclobutane-1,3-dicarboxylate
CID 146640529

Frequently Asked Questions

What is the IUPAC name of [butanoyl(formyl)amino] 2-aminoacetate?
The IUPAC name of [butanoyl(formyl)amino] 2-aminoacetate (CID 142359847) is [butanoyl(formyl)amino] 2-aminoacetate.
What is the SMILES notation for [butanoyl(formyl)amino] 2-aminoacetate?
The canonical SMILES for [butanoyl(formyl)amino] 2-aminoacetate is CCCC(=O)N(C=O)OC(=O)CN.
What is the InChIKey of [butanoyl(formyl)amino] 2-aminoacetate?
The InChIKey is BPFOVTWMWXCISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-2-3-6(11)9(5-10)13-7(12)4-8/h5H,2-4,8H2,1H3.
What are the key properties of [butanoyl(formyl)amino] 2-aminoacetate?
[butanoyl(formyl)amino] 2-aminoacetate has a molecular weight of 188.18 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyl(formyl)amino] 2-aminoacetate is sourced from PubChem (CID 142359847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).