ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate

C9H16FNO3 — CID 170383647

IUPACethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)CF)C(C)C
InChIInChI=1S/C9H16FNO3/c1-4-14-9(13)6-11(7(2)3)8(12)5-10/h7H,4-6H2,1-3H3
InChIKeyDILGFRZSRRPXEN-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.76
Rot. Bonds5

About ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate

ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate (PubChem CID 170383647) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
PubChem CID170383647
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)CF)C(C)C
InChIInChI=1S/C9H16FNO3/c1-4-14-9(13)6-11(7(2)3)8(12)5-10/h7H,4-6H2,1-3H3
InChIKeyDILGFRZSRRPXEN-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891
ethane;ethyl 2-[(2-cyanoacetyl)-propan-2-ylamino]acetate
CID 170570680
ethyl 2-[(3-amino-2-methylpropanoyl)-propan-2-ylamino]acetate
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3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
ethyl 2-[(3-amino-2-methylbutanoyl)-propan-2-ylamino]acetate
CID 113416241
ethyl 2-[(2-butylsulfanylacetyl)-propan-2-ylamino]acetate
CID 54900902
ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate
CID 61022550
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
CID 61021189
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
ethyl 2-[(3-amino-2-methoxypropanoyl)-propan-2-ylamino]acetate
CID 106112261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate (CID 170383647) is ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)CF)C(C)C.
What is the InChIKey of ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate?
The InChIKey is DILGFRZSRRPXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-4-14-9(13)6-11(7(2)3)8(12)5-10/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate?
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate has a molecular weight of 205.23 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 170383647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).