(2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid

C10H16FNO4 — CID 67992903

IUPAC(2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)C1CCC(F)CC1
InChIInChI=1S/C10H16FNO4/c1-16-10(15)12-8(9(13)14)6-2-4-7(11)5-3-6/h6-8H,2-5H2,1H3,(H,12,15)(H,13,14)/t6?,7?,8-/m1/s1
InChIKeyUEOJALLADDFNJZ-KAVNDROISA-N
MW233.24 g/mol
LogP1.32
Rot. Bonds3

About (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid

(2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid (PubChem CID 67992903) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid
PubChem CID67992903
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name(2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)C1CCC(F)CC1
InChIInChI=1S/C10H16FNO4/c1-16-10(15)12-8(9(13)14)6-2-4-7(11)5-3-6/h6-8H,2-5H2,1H3,(H,12,15)(H,13,14)/t6?,7?,8-/m1/s1
InChIKeyUEOJALLADDFNJZ-KAVNDROISA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid?
The IUPAC name of (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid (CID 67992903) is (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid?
The canonical SMILES for (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid is COC(=O)N[C@@H](C(=O)O)C1CCC(F)CC1.
What is the InChIKey of (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid?
The InChIKey is UEOJALLADDFNJZ-KAVNDROISA-N. The full InChI is InChI=1S/C10H16FNO4/c1-16-10(15)12-8(9(13)14)6-2-4-7(11)5-3-6/h6-8H,2-5H2,1H3,(H,12,15)(H,13,14)/t6?,7?,8-/m1/s1.
What are the key properties of (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid?
(2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid has a molecular weight of 233.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorocyclohexyl)-2-(methoxycarbonylamino)acetic acid is sourced from PubChem (CID 67992903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).