(2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid

C7H12FNO3 — CID 129392140

IUPAC(2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid
SMILESN[C@@H](C(=O)O)C1(F)CCOCC1
InChIInChI=1S/C7H12FNO3/c8-7(5(9)6(10)11)1-3-12-4-2-7/h5H,1-4,9H2,(H,10,11)/t5-/m0/s1
InChIKeyKORMEHWGBOJDGD-YFKPBYRVSA-N
MW177.17 g/mol
LogP-0.08
Rot. Bonds2

About (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid

(2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid (PubChem CID 129392140) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid
PubChem CID129392140
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid
SMILESN[C@@H](C(=O)O)C1(F)CCOCC1
InChIInChI=1S/C7H12FNO3/c8-7(5(9)6(10)11)1-3-12-4-2-7/h5H,1-4,9H2,(H,10,11)/t5-/m0/s1
InChIKeyKORMEHWGBOJDGD-YFKPBYRVSA-N
XLogP-0.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
CID 135392726
1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
CID 22708862
2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid
CID 79366710
1-(4-fluorooxan-4-yl)ethanone
CID 58356077
2-amino-2-(1-methoxycyclobutyl)acetic acid
CID 119032100
(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 106702805
1,4,7,10-tetraoxacyclopentadecane-13,13-dicarboxylic acid
CID 19822377
methyl 2-amino-2-(1-fluorocyclohexyl)acetate
CID 13204388
(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
CID 119336130
4-(fluoromethyl)oxane-4-carboxylic acid
CID 83815747
4-hydrazinyloxane-4-carboxylic acid
CID 154814519
3-fluorooxolane-3-carboxamide
CID 131131789

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid (CID 129392140) is (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid is N[C@@H](C(=O)O)C1(F)CCOCC1.
What is the InChIKey of (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid?
The InChIKey is KORMEHWGBOJDGD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12FNO3/c8-7(5(9)6(10)11)1-3-12-4-2-7/h5H,1-4,9H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid?
(2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid has a molecular weight of 177.17 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid is sourced from PubChem (CID 129392140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).