2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid

C9H16FNO3 — CID 81113886

IUPAC2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCCF)CCO1
InChIInChI=1S/C9H16FNO3/c10-2-1-3-11-4-5-14-8(7-11)6-9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyYYVKZNADTTYSRT-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.52
Rot. Bonds5

About 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid

2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid (PubChem CID 81113886) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid
PubChem CID81113886
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCCF)CCO1
InChIInChI=1S/C9H16FNO3/c10-2-1-3-11-4-5-14-8(7-11)6-9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyYYVKZNADTTYSRT-UHFFFAOYSA-N
XLogP0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-acetylcarnitinium
CID 439756
Levocarnitine-propionate
CID 157837
2-(Acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium
CID 2
4-Morpholinebutanoic acid
CID 79872
propionyl L-carnitine, Sigma
CID 107739
4-Morpholin-4-Yl-Butyric Acid Hydrochloride
CID 12733746
Hemiacetylcarnitinium
CID 128706
2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium
CID 3081011
(2-Butanoyloxy-3-carboxypropyl)-trimethylazanium
CID 439830
[(2R)-2-Butanoyloxy-3-carboxypropyl]-trimethylazanium
CID 213145
Acetyl-l-carnitine-d3
CID 71308984
[(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium
CID 175393193

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid (CID 81113886) is 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(CCCF)CCO1.
What is the InChIKey of 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid?
The InChIKey is YYVKZNADTTYSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c10-2-1-3-11-4-5-14-8(7-11)6-9(12)13/h8H,1-7H2,(H,12,13).
What are the key properties of 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid?
2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid has a molecular weight of 205.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 81113886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).