ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate

C10H18N2O4 — CID 567885

IUPACethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C(NC=O)C(C)C
InChIInChI=1S/C10H18N2O4/c1-4-16-8(14)5-11-10(15)9(7(2)3)12-6-13/h6-7,9H,4-5H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyRGKKALGKPFVYLP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.56
Rot. Bonds7

About ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate

ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate (PubChem CID 567885) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate
PubChem CID567885
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C(NC=O)C(C)C
InChIInChI=1S/C10H18N2O4/c1-4-16-8(14)5-11-10(15)9(7(2)3)12-6-13/h6-7,9H,4-5H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyRGKKALGKPFVYLP-UHFFFAOYSA-N
XLogP-0.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate (CID 567885) is ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate is CCOC(=O)CNC(=O)C(NC=O)C(C)C.
What is the InChIKey of ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate?
The InChIKey is RGKKALGKPFVYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-4-16-8(14)5-11-10(15)9(7(2)3)12-6-13/h6-7,9H,4-5H2,1-3H3,(H,11,15)(H,12,13).
What are the key properties of ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate?
ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate has a molecular weight of 230.26 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-formamido-3-methylbutanoyl)amino]acetate is sourced from PubChem (CID 567885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).