[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid

C6H11FN2O3 — CID 90216384

IUPAC[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)NCCF
InChIInChI=1S/C6H11FN2O3/c1-4(9-6(11)12)5(10)8-3-2-7/h4,9H,2-3H2,1H3,(H,8,10)(H,11,12)
InChIKeyYLJDZQXQTJVQEE-UHFFFAOYSA-N
MW178.16 g/mol
LogP-0.27
Rot. Bonds4

About [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid

[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 90216384) has the molecular formula C6H11FN2O3 and a molecular weight of 178.16 g/mol. Its IUPAC name is [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid
PubChem CID90216384
Molecular FormulaC6H11FN2O3
Molecular Weight178.16 g/mol
Exact Mass178.08
IUPAC Name[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)NCCF
InChIInChI=1S/C6H11FN2O3/c1-4(9-6(11)12)5(10)8-3-2-7/h4,9H,2-3H2,1H3,(H,8,10)(H,11,12)
InChIKeyYLJDZQXQTJVQEE-UHFFFAOYSA-N
XLogP-0.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-(2-fluoroethyl)propanamide
CID 91190233
[(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid
CID 142903182
N-(2-fluoroethyl)-2-hydroxypropanamide
CID 130657561
(2S)-2-[[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid
CID 122617160
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
CID 140645046
2-(2-acetamidopropanoylamino)ethylcarbamic acid
CID 19805667
N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-2,3-dimethylbenzamide
CID 129480791
4-bromo-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 122157400
4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide
CID 122157402
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
[(2R)-1-hydrazinyl-1-oxopropan-2-yl]carbamic acid
CID 90311881

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid (CID 90216384) is [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid is CC(NC(=O)O)C(=O)NCCF.
What is the InChIKey of [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is YLJDZQXQTJVQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O3/c1-4(9-6(11)12)5(10)8-3-2-7/h4,9H,2-3H2,1H3,(H,8,10)(H,11,12).
What are the key properties of [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid?
[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 178.16 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 90216384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).